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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/asra-0267e8a0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/asra-0267e8a0/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. 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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. 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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. 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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_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: -184.215543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.215543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.353448 (E_RNA)
where:
Base-Base interactions energy: -123.373
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.107
local terms energy: -60.872888
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.138 (S_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: -161.631318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.631318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.520750 (E_RNA)
where:
Base-Base interactions energy: -104.279
where: short stacking energy: -48.230
Base-Backbone interact. energy: 1.360
local terms energy: -62.601281
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 3.889 (S_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: -176.524071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.524071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.113109 (E_RNA)
where:
Base-Base interactions energy: -122.740
where: short stacking energy: -51.172
Base-Backbone interact. energy: -0.006
local terms energy: -54.367335
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. 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: -171.136663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.136663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976275 (E_RNA)
where:
Base-Base interactions energy: -119.875
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.365
local terms energy: -58.735598
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 7.840 (S_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: -190.923233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.923233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.604322 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.378
local terms energy: -55.820954
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 8.681 (S_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: -124.319625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.319625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.396182 (E_RNA)
where:
Base-Base interactions energy: -88.745
where: short stacking energy: -30.498
Base-Backbone interact. energy: 0.755
local terms energy: -38.406451
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 2.077 (S_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: -175.288377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.288377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.914474 (E_RNA)
where:
Base-Base interactions energy: -127.449
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.308
local terms energy: -48.158017
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. 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: -189.885583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.885583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.961040 (E_RNA)
where:
Base-Base interactions energy: -133.151
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.037
local terms energy: -56.773130
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. 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: -180.740257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.740257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.813940 (E_RNA)
where:
Base-Base interactions energy: -126.185
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.138
local terms energy: -54.491829
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -11.084
Dist. restrs. and SS energy: 0.074 (S_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: -195.847404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.847404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.918574 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -53.791
Base-Backbone interact. energy: -0.034
local terms energy: -56.789976
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.071 (S_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: -195.033331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.967512 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.668
local terms energy: -64.469380
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 1.934 (S_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: -206.597540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.597540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.738846 (E_RNA)
where:
Base-Base interactions energy: -144.942
where: short stacking energy: -51.408
Base-Backbone interact. energy: -0.010
local terms energy: -61.786916
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. 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: -172.401360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.401360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.728961 (E_RNA)
where:
Base-Base interactions energy: -116.281
where: short stacking energy: -46.748
Base-Backbone interact. energy: -0.146
local terms energy: -56.302329
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -185.131299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.131299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805593 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.057
local terms energy: -50.333635
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 7.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -160.681562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.681562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.722885 (E_RNA)
where:
Base-Base interactions energy: -108.489
where: short stacking energy: -49.962
Base-Backbone interact. energy: -0.648
local terms energy: -58.585558
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 7.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -188.989530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.989530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.286155 (E_RNA)
where:
Base-Base interactions energy: -143.903
where: short stacking energy: -58.972
Base-Backbone interact. energy: -0.194
local terms energy: -45.189416
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -157.415422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343721 (E_RNA)
where:
Base-Base interactions energy: -103.165
where: short stacking energy: -48.709
Base-Backbone interact. energy: -0.057
local terms energy: -55.121415
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. 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: -196.636072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.636072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.697757 (E_RNA)
where:
Base-Base interactions energy: -148.720
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.011
local terms energy: -47.966304
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -8.039
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -0.871
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.062 (S_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: -201.279571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.279571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.428823 (E_RNA)
where:
Base-Base interactions energy: -142.520
where: short stacking energy: -56.441
Base-Backbone interact. energy: -0.041
local terms energy: -58.867606
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.149 (S_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: -205.712454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.712454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795144 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -57.127
Base-Backbone interact. energy: 0.959
local terms energy: -67.666040
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. 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: -214.013317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.165748 (E_RNA)
where:
Base-Base interactions energy: -154.491
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.002
local terms energy: -59.672748
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.152 (S_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: -183.059159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.059159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.916217 (E_RNA)
where:
Base-Base interactions energy: -123.370
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.854
local terms energy: -61.692038
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -192.028651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.028651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866306 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.011
local terms energy: -61.706257
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 6.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -187.537974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.537974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.594249 (E_RNA)
where:
Base-Base interactions energy: -132.683
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.036
local terms energy: -54.875238
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -204.589565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.589565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.697518 (E_RNA)
where:
Base-Base interactions energy: -142.974
where: short stacking energy: -60.793
Base-Backbone interact. energy: -0.001
local terms energy: -61.722647
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -166.890830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.890830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.191205 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.048
local terms energy: -58.662299
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 7.300 (S_DIST_RNA)
chem. 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: -208.163780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.178572 (E_RNA)
where:
Base-Base interactions energy: -148.116
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.032
local terms energy: -60.030015
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -183.392622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.392622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.392622 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.112
local terms energy: -53.231545
where:
bonds (distance) C4'-P energy: -7.019
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -200.377241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.377241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.431715 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.209
local terms energy: -56.961895
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -191.106907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.106907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.149329 (E_RNA)
where:
Base-Base interactions energy: -136.038
where: short stacking energy: -54.145
Base-Backbone interact. energy: 0.123
local terms energy: -55.234250
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -213.544164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.544164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.555644 (E_RNA)
where:
Base-Base interactions energy: -159.717
where: short stacking energy: -70.876
Base-Backbone interact. energy: -0.001
local terms energy: -53.838141
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -187.591953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.591953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.630682 (E_RNA)
where:
Base-Base interactions energy: -135.768
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.013
local terms energy: -58.849034
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 7.039 (S_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: -189.704392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.704392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.447385 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -53.977
Base-Backbone interact. energy: -0.002
local terms energy: -64.410998
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 1.743 (S_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: 5
Temperature: 1.050000
Total energy: -215.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.488197 (E_RNA)
where:
Base-Base interactions energy: -156.134
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.006
local terms energy: -59.349043
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -201.133696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.133696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.210925 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.044
local terms energy: -48.315809
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -0.699
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -207.188453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233967 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.108
local terms energy: -66.944955
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -183.902229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.902229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.880925 (E_RNA)
where:
Base-Base interactions energy: -132.029
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.000
local terms energy: -59.851464
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 7.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -203.093440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.093440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.114603 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -56.457
Base-Backbone interact. energy: 0.211
local terms energy: -62.325561
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -201.865642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.865642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.029089 (E_RNA)
where:
Base-Base interactions energy: -137.087
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.164
local terms energy: -64.777353
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -203.015977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.015977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.101772 (E_RNA)
where:
Base-Base interactions energy: -147.874
where: short stacking energy: -54.613
Base-Backbone interact. energy: -0.007
local terms energy: -55.221449
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -211.609813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.609813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.300611 (E_RNA)
where:
Base-Base interactions energy: -164.711
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.360
local terms energy: -55.230267
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 8.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -208.713699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.713699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.787759 (E_RNA)
where:
Base-Base interactions energy: -152.731
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.321
local terms energy: -55.735915
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.074 (S_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: 6
Temperature: 1.000000
Total energy: -218.671881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.671881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.671881 (E_RNA)
where:
Base-Base interactions energy: -157.076
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.179
local terms energy: -61.416911
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -13.470
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -185.470828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.470828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.880250 (E_RNA)
where:
Base-Base interactions energy: -127.942
where: short stacking energy: -44.690
Base-Backbone interact. energy: -0.834
local terms energy: -57.103807
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -209.070628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.070628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257713 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.040
local terms energy: -63.512635
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.187 (S_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: 6
Temperature: 1.150000
Total energy: -190.534998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.534998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.550642 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.047
local terms energy: -56.386030
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -196.151190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.151190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.156785 (E_RNA)
where:
Base-Base interactions energy: -141.062
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.106
local terms energy: -54.988540
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.006 (S_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: 6
Temperature: 1.250000
Total energy: -184.575315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.575315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.484352 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -59.405
Base-Backbone interact. energy: -0.036
local terms energy: -52.719281
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 7.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -198.872385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.872385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.952073 (E_RNA)
where:
Base-Base interactions energy: -135.663
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.355
local terms energy: -62.934656
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -193.026927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.026927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.069539 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -56.865
Base-Backbone interact. energy: 2.737
local terms energy: -56.497288
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -216.765471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.765471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129592 (E_RNA)
where:
Base-Base interactions energy: -164.488
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.006
local terms energy: -60.635505
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 8.364 (S_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: 7
Temperature: 0.950000
Total energy: -219.240888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.240888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.247753 (E_RNA)
where:
Base-Base interactions energy: -161.530
where: short stacking energy: -61.894
Base-Backbone interact. energy: -0.250
local terms energy: -57.468347
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -221.346903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.346903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.501497 (E_RNA)
where:
Base-Base interactions energy: -157.939
where: short stacking energy: -60.702
Base-Backbone interact. energy: -0.043
local terms energy: -63.519105
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.155 (S_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: 7
Temperature: 1.050000
Total energy: -234.869246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.869246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.903600 (E_RNA)
where:
Base-Base interactions energy: -170.650
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.001
local terms energy: -64.252958
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.034 (S_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: 7
Temperature: 1.100000
Total energy: -184.522960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.522960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.274819 (E_RNA)
where:
Base-Base interactions energy: -123.977
where: short stacking energy: -57.299
Base-Backbone interact. energy: -0.002
local terms energy: -63.296035
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 2.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -204.269516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.269516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.304017 (E_RNA)
where:
Base-Base interactions energy: -138.632
where: short stacking energy: -60.455
Base-Backbone interact. energy: -0.155
local terms energy: -65.516653
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -196.465453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.465453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.533951 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.000
local terms energy: -59.086413
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.068 (S_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: 7
Temperature: 1.250000
Total energy: -198.141342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.141342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346030 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.101
local terms energy: -54.250906
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -8.602
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.205 (S_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: 7
Temperature: 1.300000
Total energy: -170.364984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.364984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.407782 (E_RNA)
where:
Base-Base interactions energy: -131.630
where: short stacking energy: -59.284
Base-Backbone interact. energy: -0.099
local terms energy: -47.678852
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 9.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -193.717931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.717931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.762332 (E_RNA)
where:
Base-Base interactions energy: -140.238
where: short stacking energy: -54.120
Base-Backbone interact. energy: -0.002
local terms energy: -53.521726
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.044 (S_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: 8
Temperature: 0.900000
Total energy: -220.524169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.524169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.685590 (E_RNA)
where:
Base-Base interactions energy: -154.042
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.098
local terms energy: -66.545983
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -207.807288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.807288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.589819 (E_RNA)
where:
Base-Base interactions energy: -154.183
where: short stacking energy: -64.961
Base-Backbone interact. energy: -1.239
local terms energy: -61.167684
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 8.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -232.313951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.313951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.313951 (E_RNA)
where:
Base-Base interactions energy: -173.156
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.002
local terms energy: -59.155510
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -1.146
tors. eta vs tors. theta energy: -15.692
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: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -214.416207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.416207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.456095 (E_RNA)
where:
Base-Base interactions energy: -160.074
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.019
local terms energy: -54.363162
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.040 (S_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: 8
Temperature: 1.100000
Total energy: -217.142144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.142144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.165675 (E_RNA)
where:
Base-Base interactions energy: -151.740
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.316
local terms energy: -65.109582
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.024 (S_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: 8
Temperature: 1.150000
Total energy: -204.100120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.100120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.229418 (E_RNA)
where:
Base-Base interactions energy: -145.236
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.002
local terms energy: -58.991409
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.129 (S_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: 8
Temperature: 1.200000
Total energy: -200.517910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.517910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.530753 (E_RNA)
where:
Base-Base interactions energy: -139.017
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.008
local terms energy: -61.505457
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -199.348086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.389193 (E_RNA)
where:
Base-Base interactions energy: -140.013
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.004
local terms energy: -59.372565
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -192.150375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.150375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.359668 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -54.434
Base-Backbone interact. energy: -0.304
local terms energy: -55.167612
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.209 (S_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: 8
Temperature: 1.350000
Total energy: -181.566834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.566834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676415 (E_RNA)
where:
Base-Base interactions energy: -131.093
where: short stacking energy: -55.894
Base-Backbone interact. energy: -0.059
local terms energy: -58.524420
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 8.110 (S_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: 9
Temperature: 0.900000
Total energy: -224.227020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.227020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.286659 (E_RNA)
where:
Base-Base interactions energy: -157.381
where: short stacking energy: -67.338
Base-Backbone interact. energy: -0.001
local terms energy: -66.905051
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -235.163743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.163743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.205735 (E_RNA)
where:
Base-Base interactions energy: -174.383
where: short stacking energy: -71.718
Base-Backbone interact. energy: -0.468
local terms energy: -60.354515
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.042 (S_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: 9
Temperature: 1.000000
Total energy: -208.714926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.714926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.055370 (E_RNA)
where:
Base-Base interactions energy: -156.154
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.824
local terms energy: -60.077260
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 8.340 (S_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: 9
Temperature: 1.050000
Total energy: -209.020679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.020679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.246849 (E_RNA)
where:
Base-Base interactions energy: -159.007
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.243
local terms energy: -49.996781
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -0.896
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.226 (S_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: 9
Temperature: 1.100000
Total energy: -207.739205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.851198 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.021
local terms energy: -61.218454
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.112 (S_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: 9
Temperature: 1.150000
Total energy: -211.510949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.510949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.955073 (E_RNA)
where:
Base-Base interactions energy: -145.535
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.001
local terms energy: -66.419321
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.444 (S_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: 9
Temperature: 1.200000
Total energy: -205.534296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.534296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578554 (E_RNA)
where:
Base-Base interactions energy: -144.277
where: short stacking energy: -60.038
Base-Backbone interact. energy: -0.042
local terms energy: -61.259936
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -202.925183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.967174 (E_RNA)
where:
Base-Base interactions energy: -147.906
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.005
local terms energy: -55.056316
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -193.011059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.011059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.029946 (E_RNA)
where:
Base-Base interactions energy: -150.007
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.004
local terms energy: -43.019470
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -6.481
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.019 (S_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: 9
Temperature: 1.350000
Total energy: -178.571726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.571726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.582341 (E_RNA)
where:
Base-Base interactions energy: -132.749
where: short stacking energy: -54.610
Base-Backbone interact. energy: -1.247
local terms energy: -51.586768
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 7.011 (S_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: 10
Temperature: 0.900000
Total energy: -225.628474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.628474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.664322 (E_RNA)
where:
Base-Base interactions energy: -164.216
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.047
local terms energy: -61.401409
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -223.854911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.854911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.869965 (E_RNA)
where:
Base-Base interactions energy: -162.238
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.059
local terms energy: -61.573384
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.015 (S_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: 10
Temperature: 1.000000
Total energy: -226.861617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.861617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.861617 (E_RNA)
where:
Base-Base interactions energy: -169.304
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.003
local terms energy: -57.554658
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -14.118
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: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -207.152661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.152661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.484424 (E_RNA)
where:
Base-Base interactions energy: -161.577
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.042
local terms energy: -52.865321
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 7.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -210.237697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.237697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.266040 (E_RNA)
where:
Base-Base interactions energy: -147.996
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.001
local terms energy: -62.268884
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.028 (S_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: -209.686761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.686761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.923147 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.650
local terms energy: -63.473100
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.236 (S_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: 10
Temperature: 1.200000
Total energy: -195.178553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.178553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.306566 (E_RNA)
where:
Base-Base interactions energy: -129.620
where: short stacking energy: -51.706
Base-Backbone interact. energy: -0.260
local terms energy: -65.426300
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.128 (S_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: 10
Temperature: 1.250000
Total energy: -214.680974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.680974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.702500 (E_RNA)
where:
Base-Base interactions energy: -148.890
where: short stacking energy: -58.722
Base-Backbone interact. energy: 0.083
local terms energy: -65.895853
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -194.625711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907354 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.018
local terms energy: -64.199774
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.282 (S_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: 10
Temperature: 1.350000
Total energy: -175.858923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.858923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.710332 (E_RNA)
where:
Base-Base interactions energy: -129.816
where: short stacking energy: -55.471
Base-Backbone interact. energy: -1.872
local terms energy: -52.022247
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 7.851 (S_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: 11
Temperature: 0.900000
Total energy: -218.991750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.991750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.995698 (E_RNA)
where:
Base-Base interactions energy: -157.352
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.198
local terms energy: -61.445975
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.004 (S_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: 11
Temperature: 0.950000
Total energy: -231.514784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.519404 (E_RNA)
where:
Base-Base interactions energy: -174.210
where: short stacking energy: -71.877
Base-Backbone interact. energy: -0.001
local terms energy: -57.308568
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -213.905114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.905114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.997540 (E_RNA)
where:
Base-Base interactions energy: -146.171
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.098
local terms energy: -67.728097
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.092 (S_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: 11
Temperature: 1.050000
Total energy: -209.827707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.827707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.940829 (E_RNA)
where:
Base-Base interactions energy: -149.490
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.478
local terms energy: -59.972367
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.113 (S_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: -206.397730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.397730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.935119 (E_RNA)
where:
Base-Base interactions energy: -151.664
where: short stacking energy: -63.678
Base-Backbone interact. energy: -0.014
local terms energy: -62.257544
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 7.537 (S_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: 11
Temperature: 1.150000
Total energy: -204.239662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.239662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.239662 (E_RNA)
where:
Base-Base interactions energy: -140.855
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.070
local terms energy: -63.315156
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -201.674685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.781386 (E_RNA)
where:
Base-Base interactions energy: -137.627
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.575
local terms energy: -63.579489
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -200.152990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.152990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.317195 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -58.264
Base-Backbone interact. energy: -0.041
local terms energy: -63.988009
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.164 (S_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: 11
Temperature: 1.300000
Total energy: -200.517744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.517744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.746827 (E_RNA)
where:
Base-Base interactions energy: -139.797
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.035
local terms energy: -60.914369
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.229 (S_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: 11
Temperature: 1.350000
Total energy: -178.156615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.156615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.681916 (E_RNA)
where:
Base-Base interactions energy: -127.411
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.039
local terms energy: -57.232149
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 6.525 (S_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: 12
Temperature: 0.900000
Total energy: -218.318079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.397643 (E_RNA)
where:
Base-Base interactions energy: -148.887
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.100
local terms energy: -69.410212
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.080 (S_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: -227.019745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.019745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.129381 (E_RNA)
where:
Base-Base interactions energy: -163.228
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.211
local terms energy: -63.690470
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.110 (S_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: 12
Temperature: 1.000000
Total energy: -215.155003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.155003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.224571 (E_RNA)
where:
Base-Base interactions energy: -161.221
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.358
local terms energy: -53.645555
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -212.187727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.187727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440740 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.081
local terms energy: -62.742097
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.253 (S_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: 12
Temperature: 1.100000
Total energy: -206.341028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.341028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358688 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.211
local terms energy: -67.138183
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.018 (S_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: -193.077641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.077641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551309 (E_RNA)
where:
Base-Base interactions energy: -139.225
where: short stacking energy: -54.460
Base-Backbone interact. energy: -0.115
local terms energy: -61.211386
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 7.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -215.852583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.852583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129371 (E_RNA)
where:
Base-Base interactions energy: -157.878
where: short stacking energy: -64.097
Base-Backbone interact. energy: -1.028
local terms energy: -57.223598
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.277 (S_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: 12
Temperature: 1.250000
Total energy: -197.231350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.336888 (E_RNA)
where:
Base-Base interactions energy: -133.718
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.076
local terms energy: -63.542939
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.106 (S_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: 12
Temperature: 1.300000
Total energy: -177.344395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.344395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.748904 (E_RNA)
where:
Base-Base interactions energy: -123.726
where: short stacking energy: -51.023
Base-Backbone interact. energy: 0.214
local terms energy: -61.236926
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -188.340357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.340357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.381886 (E_RNA)
where:
Base-Base interactions energy: -130.661
where: short stacking energy: -50.774
Base-Backbone interact. energy: -0.035
local terms energy: -57.686197
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.042 (S_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: 13
Temperature: 0.900000
Total energy: -222.340059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.340059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.340059 (E_RNA)
where:
Base-Base interactions energy: -158.289
where: short stacking energy: -59.812
Base-Backbone interact. energy: -0.045
local terms energy: -64.005629
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -225.832599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.832599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.858140 (E_RNA)
where:
Base-Base interactions energy: -165.978
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.020
local terms energy: -59.860047
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -1.015
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.026 (S_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: 13
Temperature: 1.000000
Total energy: -223.328071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.328071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.444800 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.017
local terms energy: -57.700386
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.117 (S_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: 13
Temperature: 1.050000
Total energy: -203.904317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.904317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.935561 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.005
local terms energy: -61.717766
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -215.540250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.540250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.540250 (E_RNA)
where:
Base-Base interactions energy: -159.156
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.000
local terms energy: -56.383760
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -2.806
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: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -218.206480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.206480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.433972 (E_RNA)
where:
Base-Base interactions energy: -165.295
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.309
local terms energy: -52.829386
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.227 (S_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: -192.794712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.794712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.739036 (E_RNA)
where:
Base-Base interactions energy: -132.010
where: short stacking energy: -55.675
Base-Backbone interact. energy: -0.641
local terms energy: -67.087496
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 6.944 (S_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: 13
Temperature: 1.250000
Total energy: -216.076315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.076315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.317602 (E_RNA)
where:
Base-Base interactions energy: -158.027
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.006
local terms energy: -58.284397
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.241 (S_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: 13
Temperature: 1.300000
Total energy: -187.115368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.115368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.219639 (E_RNA)
where:
Base-Base interactions energy: -130.304
where: short stacking energy: -51.634
Base-Backbone interact. energy: -0.002
local terms energy: -63.914231
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 7.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -193.588754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.588754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.663452 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -55.746
Base-Backbone interact. energy: -0.104
local terms energy: -55.308752
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -228.136942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.167627 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -65.276
Base-Backbone interact. energy: 0.627
local terms energy: -68.840555
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.031 (S_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: 14
Temperature: 0.950000
Total energy: -219.991256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.991256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.004655 (E_RNA)
where:
Base-Base interactions energy: -153.696
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.004
local terms energy: -66.304192
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -208.552388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.552388 (E_RNA)
where:
Base-Base interactions energy: -148.213
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.024
local terms energy: -60.315702
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -209.179095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.179095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.217015 (E_RNA)
where:
Base-Base interactions energy: -144.991
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.001
local terms energy: -64.225099
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -211.352613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.352613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.459558 (E_RNA)
where:
Base-Base interactions energy: -155.140
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.030
local terms energy: -56.290112
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.107 (S_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: -204.627427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.697365 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.005
local terms energy: -59.263571
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.070 (S_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: 14
Temperature: 1.200000
Total energy: -204.550397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.550397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881256 (E_RNA)
where:
Base-Base interactions energy: -140.114
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.396
local terms energy: -64.371800
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.331 (S_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: -191.035325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.035325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346803 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.016
local terms energy: -59.577161
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 7.311 (S_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: 14
Temperature: 1.300000
Total energy: -190.687011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758920 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.004
local terms energy: -62.463955
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.072 (S_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: 14
Temperature: 1.350000
Total energy: -174.663964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.151287 (E_RNA)
where:
Base-Base interactions energy: -116.468
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.125
local terms energy: -66.558726
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 8.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -230.491717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.491717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.537648 (E_RNA)
where:
Base-Base interactions energy: -172.672
where: short stacking energy: -69.049
Base-Backbone interact. energy: -0.002
local terms energy: -57.863303
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -1.670
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.046 (S_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: 15
Temperature: 0.950000
Total energy: -231.899279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.899279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.044213 (E_RNA)
where:
Base-Base interactions energy: -161.797
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.000
local terms energy: -70.246534
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -208.684860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.748815 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.011
local terms energy: -66.039330
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -209.125720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.125720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.211461 (E_RNA)
where:
Base-Base interactions energy: -148.657
where: short stacking energy: -59.496
Base-Backbone interact. energy: 1.495
local terms energy: -62.049764
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.086 (S_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: 15
Temperature: 1.100000
Total energy: -202.349453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.349453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366049 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.595
local terms energy: -59.278707
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.017 (S_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: 15
Temperature: 1.150000
Total energy: -209.025240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.025240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152669 (E_RNA)
where:
Base-Base interactions energy: -156.006
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.135
local terms energy: -53.011621
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -13.067
Dist. restrs. and SS energy: 0.127 (S_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: 15
Temperature: 1.200000
Total energy: -203.455056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.455056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.481465 (E_RNA)
where:
Base-Base interactions energy: -150.638
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.000
local terms energy: -52.842955
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.026 (S_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: 15
Temperature: 1.250000
Total energy: -192.878560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.878560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.957464 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.023
local terms energy: -62.192660
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.079 (S_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: -178.702471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.650057 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.000
local terms energy: -57.960912
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 8.948 (S_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: 15
Temperature: 1.350000
Total energy: -178.462854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.462854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.420120 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.666
local terms energy: -60.058229
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 8.957 (S_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: 16
Temperature: 0.900000
Total energy: -228.697146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.697146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.769253 (E_RNA)
where:
Base-Base interactions energy: -166.523
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.042
local terms energy: -62.204686
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.072 (S_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: 16
Temperature: 0.950000
Total energy: -224.311750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.311750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.342964 (E_RNA)
where:
Base-Base interactions energy: -159.878
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.128
local terms energy: -64.336283
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -220.451919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.451919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.489622 (E_RNA)
where:
Base-Base interactions energy: -156.484
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.193
local terms energy: -63.812339
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.038 (S_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: 16
Temperature: 1.050000
Total energy: -231.000112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.000112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.058695 (E_RNA)
where:
Base-Base interactions energy: -171.244
where: short stacking energy: -66.383
Base-Backbone interact. energy: 0.419
local terms energy: -60.233979
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.059 (S_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: 16
Temperature: 1.100000
Total energy: -209.722872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.722872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.726926 (E_RNA)
where:
Base-Base interactions energy: -150.118
where: short stacking energy: -58.993
Base-Backbone interact. energy: -0.122
local terms energy: -59.486634
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.004 (S_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: 16
Temperature: 1.150000
Total energy: -213.316564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.316564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.318168 (E_RNA)
where:
Base-Base interactions energy: -154.936
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.299
local terms energy: -58.082789
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.002 (S_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: 16
Temperature: 1.200000
Total energy: -200.042690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.042690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.307755 (E_RNA)
where:
Base-Base interactions energy: -148.397
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.001
local terms energy: -51.909828
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.265 (S_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: 16
Temperature: 1.250000
Total energy: -189.274384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.274384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.319450 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -54.471
Base-Backbone interact. energy: -0.196
local terms energy: -53.802845
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.045 (S_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: 16
Temperature: 1.300000
Total energy: -181.369973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.369973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.373717 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -59.282
Base-Backbone interact. energy: -1.637
local terms energy: -56.756662
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 8.004 (S_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: -167.322477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.322477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.046831 (E_RNA)
where:
Base-Base interactions energy: -131.565
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.141
local terms energy: -44.340520
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 8.724 (S_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: 17
Temperature: 0.900000
Total energy: -220.674524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674524 (E_RNA)
where:
Base-Base interactions energy: -155.912
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.243
local terms energy: -64.519179
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -7.701
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: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -218.286675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.286675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.311492 (E_RNA)
where:
Base-Base interactions energy: -153.055
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.000
local terms energy: -65.256644
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.025 (S_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: 17
Temperature: 1.000000
Total energy: -212.136644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.136644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.136644 (E_RNA)
where:
Base-Base interactions energy: -148.508
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.004
local terms energy: -63.624552
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -212.716268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.716268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.753641 (E_RNA)
where:
Base-Base interactions energy: -152.764
where: short stacking energy: -63.059
Base-Backbone interact. energy: 0.189
local terms energy: -60.178414
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.037 (S_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: 17
Temperature: 1.100000
Total energy: -224.314817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.314817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.340928 (E_RNA)
where:
Base-Base interactions energy: -162.890
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.024
local terms energy: -61.426185
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -202.769040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.769040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.816960 (E_RNA)
where:
Base-Base interactions energy: -141.278
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.001
local terms energy: -61.537763
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.048 (S_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: 17
Temperature: 1.200000
Total energy: -202.237293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.237293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.238747 (E_RNA)
where:
Base-Base interactions energy: -153.929
where: short stacking energy: -59.426
Base-Backbone interact. energy: -0.171
local terms energy: -48.138239
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.001 (S_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: 17
Temperature: 1.250000
Total energy: -190.421238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.421238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469121 (E_RNA)
where:
Base-Base interactions energy: -137.780
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.002
local terms energy: -52.686542
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.048 (S_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: 17
Temperature: 1.300000
Total energy: -175.638883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.638883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.878204 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.065
local terms energy: -55.846511
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 7.239 (S_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: -175.311794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.311794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.282070 (E_RNA)
where:
Base-Base interactions energy: -132.507
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.020
local terms energy: -49.755109
where:
bonds (distance) C4'-P energy: -3.677
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 6.970 (S_DIST_RNA)
chem. 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: -229.000326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.000326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.006139 (E_RNA)
where:
Base-Base interactions energy: -166.513
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.014
local terms energy: -62.479604
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.006 (S_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: 18
Temperature: 0.950000
Total energy: -212.596488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.596488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.642350 (E_RNA)
where:
Base-Base interactions energy: -146.157
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.015
local terms energy: -66.469879
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -214.025212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.025212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.025212 (E_RNA)
where:
Base-Base interactions energy: -142.041
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.157
local terms energy: -71.827131
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -216.282992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.282992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.282992 (E_RNA)
where:
Base-Base interactions energy: -158.438
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.182
local terms energy: -57.663445
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -214.880517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.880517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.023120 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.415
local terms energy: -67.624799
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -198.842293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.842293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.132593 (E_RNA)
where:
Base-Base interactions energy: -131.682
where: short stacking energy: -52.676
Base-Backbone interact. energy: -0.002
local terms energy: -67.448677
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.290 (S_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: 18
Temperature: 1.200000
Total energy: -202.792012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.792012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.815134 (E_RNA)
where:
Base-Base interactions energy: -150.158
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.006
local terms energy: -52.650791
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -4.831
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -202.748053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.748053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.759944 (E_RNA)
where:
Base-Base interactions energy: -142.354
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.015
local terms energy: -60.391296
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.012 (S_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: -178.051944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.676903 (E_RNA)
where:
Base-Base interactions energy: -130.171
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.660
local terms energy: -54.845775
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 7.625 (S_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: 18
Temperature: 1.350000
Total energy: -177.042946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.042946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.136034 (E_RNA)
where:
Base-Base interactions energy: -127.316
where: short stacking energy: -52.481
Base-Backbone interact. energy: -0.971
local terms energy: -56.849463
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 8.093 (S_DIST_RNA)
chem. 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: -227.926054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.926054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.969231 (E_RNA)
where:
Base-Base interactions energy: -164.747
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.082
local terms energy: -63.140134
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -218.768093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.768093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.846799 (E_RNA)
where:
Base-Base interactions energy: -151.896
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.186
local terms energy: -66.764278
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.079 (S_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: 19
Temperature: 1.000000
Total energy: -217.827268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.827268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.961985 (E_RNA)
where:
Base-Base interactions energy: -154.962
where: short stacking energy: -62.691
Base-Backbone interact. energy: -0.282
local terms energy: -62.717900
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -210.765745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.765745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.781508 (E_RNA)
where:
Base-Base interactions energy: -152.460
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.686
local terms energy: -57.636234
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.016 (S_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: 19
Temperature: 1.100000
Total energy: -210.275560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.275560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.299480 (E_RNA)
where:
Base-Base interactions energy: -147.186
where: short stacking energy: -56.717
Base-Backbone interact. energy: -0.001
local terms energy: -63.112777
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -203.397208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.627194 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.052
local terms energy: -57.427937
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -208.408892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.408892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.566408 (E_RNA)
where:
Base-Base interactions energy: -156.909
where: short stacking energy: -61.218
Base-Backbone interact. energy: 3.683
local terms energy: -55.340002
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.158 (S_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: -179.742430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.742430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.682715 (E_RNA)
where:
Base-Base interactions energy: -130.974
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.476
local terms energy: -55.233426
where:
bonds (distance) C4'-P energy: -5.644
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 6.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -192.504877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.504877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.524289 (E_RNA)
where:
Base-Base interactions energy: -145.860
where: short stacking energy: -51.358
Base-Backbone interact. energy: -0.005
local terms energy: -46.659730
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -6.002
flat angles P-C4'-P energy: -1.844
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.019 (S_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: 19
Temperature: 1.350000
Total energy: -176.625232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.625232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.590042 (E_RNA)
where:
Base-Base interactions energy: -129.682
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.593
local terms energy: -56.315200
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 9.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -218.938058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.938058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.938058 (E_RNA)
where:
Base-Base interactions energy: -153.217
where: short stacking energy: -61.671
Base-Backbone interact. energy: -0.000
local terms energy: -65.720755
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -216.411664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.411664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.457239 (E_RNA)
where:
Base-Base interactions energy: -152.853
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.006
local terms energy: -63.597716
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.046 (S_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: 20
Temperature: 1.000000
Total energy: -217.069830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.069830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.089765 (E_RNA)
where:
Base-Base interactions energy: -155.265
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.087
local terms energy: -61.738382
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. 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: -213.758864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.758864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.779220 (E_RNA)
where:
Base-Base interactions energy: -155.368
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.001
local terms energy: -58.410979
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -9.196
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -204.976931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.976931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.257109 (E_RNA)
where:
Base-Base interactions energy: -154.269
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.045
local terms energy: -50.943129
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.280 (S_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: 20
Temperature: 1.150000
Total energy: -206.910840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.910840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.037991 (E_RNA)
where:
Base-Base interactions energy: -145.947
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.093
local terms energy: -60.998074
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -199.425377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.425377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.500513 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -55.787
Base-Backbone interact. energy: -0.002
local terms energy: -57.858228
where:
bonds (distance) C4'-P energy: -4.925
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.075 (S_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: 20
Temperature: 1.250000
Total energy: -183.730869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.730869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.221208 (E_RNA)
where:
Base-Base interactions energy: -133.311
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.100
local terms energy: -57.810338
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 7.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -201.929690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.929690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.042088 (E_RNA)
where:
Base-Base interactions energy: -144.359
where: short stacking energy: -61.554
Base-Backbone interact. energy: 0.055
local terms energy: -57.737962
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.112 (S_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: -174.766803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.766803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.156027 (E_RNA)
where:
Base-Base interactions energy: -130.376
where: short stacking energy: -49.806
Base-Backbone interact. energy: -0.006
local terms energy: -50.773477
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 6.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -221.263151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.263151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.275017 (E_RNA)
where:
Base-Base interactions energy: -155.798
where: short stacking energy: -64.833
Base-Backbone interact. energy: -0.396
local terms energy: -65.080862
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.012 (S_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: 21
Temperature: 0.950000
Total energy: -207.680279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.680279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.747155 (E_RNA)
where:
Base-Base interactions energy: -147.105
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.703
local terms energy: -59.939278
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -221.461710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.461710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.534661 (E_RNA)
where:
Base-Base interactions energy: -155.891
where: short stacking energy: -67.882
Base-Backbone interact. energy: -0.517
local terms energy: -65.126254
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -209.188892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.188892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.197691 (E_RNA)
where:
Base-Base interactions energy: -147.966
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.004
local terms energy: -61.228046
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -203.388578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.388578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.449398 (E_RNA)
where:
Base-Base interactions energy: -141.321
where: short stacking energy: -56.038
Base-Backbone interact. energy: 0.566
local terms energy: -62.693536
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.061 (S_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: 21
Temperature: 1.150000
Total energy: -203.949060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.949060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.285153 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -60.964
Base-Backbone interact. energy: 0.298
local terms energy: -55.680454
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -203.529812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.529812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.620052 (E_RNA)
where:
Base-Base interactions energy: -155.552
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.300
local terms energy: -47.767168
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -193.004409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.004409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.161717 (E_RNA)
where:
Base-Base interactions energy: -132.907
where: short stacking energy: -50.172
Base-Backbone interact. energy: -0.101
local terms energy: -60.153697
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.157 (S_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: 21
Temperature: 1.300000
Total energy: -181.859245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.859245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.586206 (E_RNA)
where:
Base-Base interactions energy: -125.483
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.489
local terms energy: -63.614336
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 7.727 (S_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: -176.359448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.359448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.481620 (E_RNA)
where:
Base-Base interactions energy: -126.059
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.476
local terms energy: -56.947155
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 7.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -218.980935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.980935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.993934 (E_RNA)
where:
Base-Base interactions energy: -151.071
where: short stacking energy: -67.460
Base-Backbone interact. energy: -0.017
local terms energy: -67.906691
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.013 (S_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: 22
Temperature: 0.950000
Total energy: -211.202235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.202235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276924 (E_RNA)
where:
Base-Base interactions energy: -147.193
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.537
local terms energy: -63.547292
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -220.679573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.679573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.697329 (E_RNA)
where:
Base-Base interactions energy: -158.643
where: short stacking energy: -65.545
Base-Backbone interact. energy: -0.098
local terms energy: -61.956576
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.018 (S_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: -218.886770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.886770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.886770 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.003
local terms energy: -56.615508
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -215.687274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.687274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.751555 (E_RNA)
where:
Base-Base interactions energy: -149.042
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.026
local terms energy: -66.682798
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.064 (S_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: 22
Temperature: 1.150000
Total energy: -214.003344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.003344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.044934 (E_RNA)
where:
Base-Base interactions energy: -160.846
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.207
local terms energy: -52.992321
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -205.153931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.153931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.251682 (E_RNA)
where:
Base-Base interactions energy: -143.066
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.298
local terms energy: -61.887362
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -194.634232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.847467 (E_RNA)
where:
Base-Base interactions energy: -134.559
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.463
local terms energy: -59.825622
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -191.995725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.995725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.633717 (E_RNA)
where:
Base-Base interactions energy: -135.296
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.582
local terms energy: -63.756296
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 7.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -170.260945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.260945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.018705 (E_RNA)
where:
Base-Base interactions energy: -125.362
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.032
local terms energy: -53.624488
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 8.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -216.150221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.150221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.218365 (E_RNA)
where:
Base-Base interactions energy: -151.582
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.001
local terms energy: -64.635418
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.068 (S_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: -220.206080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.206080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.273719 (E_RNA)
where:
Base-Base interactions energy: -162.260
where: short stacking energy: -63.284
Base-Backbone interact. energy: -0.215
local terms energy: -57.798965
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.068 (S_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: 23
Temperature: 1.000000
Total energy: -203.083364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.127909 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -57.645
Base-Backbone interact. energy: 0.282
local terms energy: -62.643393
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -214.945254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.945254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.061448 (E_RNA)
where:
Base-Base interactions energy: -150.674
where: short stacking energy: -65.175
Base-Backbone interact. energy: -0.101
local terms energy: -64.286811
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.116 (S_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: 23
Temperature: 1.100000
Total energy: -221.962054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.962054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.997965 (E_RNA)
where:
Base-Base interactions energy: -164.082
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.001
local terms energy: -57.914504
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.036 (S_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: 23
Temperature: 1.150000
Total energy: -203.207948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.207948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.211596 (E_RNA)
where:
Base-Base interactions energy: -140.832
where: short stacking energy: -52.661
Base-Backbone interact. energy: -0.141
local terms energy: -62.238785
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.004 (S_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: 23
Temperature: 1.200000
Total energy: -216.283916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.283916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.578507 (E_RNA)
where:
Base-Base interactions energy: -157.936
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.219
local terms energy: -58.423895
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -207.703793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.703793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.703793 (E_RNA)
where:
Base-Base interactions energy: -152.812
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.020
local terms energy: -54.871581
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -175.645579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.645579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.658287 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -51.697
Base-Backbone interact. energy: -0.005
local terms energy: -53.426809
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 7.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -169.672213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.672213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019757 (E_RNA)
where:
Base-Base interactions energy: -130.231
where: short stacking energy: -52.121
Base-Backbone interact. energy: -0.472
local terms energy: -45.316403
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 6.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -223.119667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.119667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.171439 (E_RNA)
where:
Base-Base interactions energy: -157.905
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.000
local terms energy: -65.265543
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.052 (S_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: -214.680455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.680455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.807859 (E_RNA)
where:
Base-Base interactions energy: -150.539
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.013
local terms energy: -64.256168
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -212.067688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.067688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.101191 (E_RNA)
where:
Base-Base interactions energy: -149.222
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.003
local terms energy: -62.876809
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.034 (S_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: 24
Temperature: 1.050000
Total energy: -207.365689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.365689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667751 (E_RNA)
where:
Base-Base interactions energy: -149.449
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.011
local terms energy: -58.206916
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.302 (S_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: 24
Temperature: 1.100000
Total energy: -217.947483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.947483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.984394 (E_RNA)
where:
Base-Base interactions energy: -157.902
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.072
local terms energy: -60.010163
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.037 (S_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: 24
Temperature: 1.150000
Total energy: -214.733613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.733613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.741170 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.052
local terms energy: -56.364445
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -208.531483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.531483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.752074 (E_RNA)
where:
Base-Base interactions energy: -141.609
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.046
local terms energy: -67.097017
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -201.264265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.264265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.438582 (E_RNA)
where:
Base-Base interactions energy: -141.319
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.125
local terms energy: -59.994452
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -179.168969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.168969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.639800 (E_RNA)
where:
Base-Base interactions energy: -134.222
where: short stacking energy: -51.997
Base-Backbone interact. energy: -0.015
local terms energy: -52.402607
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 7.471 (S_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: 24
Temperature: 1.350000
Total energy: -172.852415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.852415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.283356 (E_RNA)
where:
Base-Base interactions energy: -124.916
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.013
local terms energy: -55.354482
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 7.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -223.248699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.248699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.302011 (E_RNA)
where:
Base-Base interactions energy: -161.877
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.006
local terms energy: -61.418753
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.053 (S_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: 25
Temperature: 0.950000
Total energy: -220.541844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.541844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.585602 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.123
local terms energy: -71.487088
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -215.616581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.616581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.081598 (E_RNA)
where:
Base-Base interactions energy: -144.563
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.381
local terms energy: -71.138087
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.465 (S_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: 25
Temperature: 1.050000
Total energy: -219.993119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.993119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.238258 (E_RNA)
where:
Base-Base interactions energy: -161.857
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.266
local terms energy: -58.115103
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. 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: -211.245243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.245243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.268604 (E_RNA)
where:
Base-Base interactions energy: -149.814
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.110
local terms energy: -61.343644
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -200.473105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.473105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.479027 (E_RNA)
where:
Base-Base interactions energy: -137.008
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.103
local terms energy: -63.368005
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.006 (S_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: 25
Temperature: 1.200000
Total energy: -207.117251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.117251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.142243 (E_RNA)
where:
Base-Base interactions energy: -149.598
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.005
local terms energy: -57.538424
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -197.316766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.316766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.317036 (E_RNA)
where:
Base-Base interactions energy: -142.852
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.158
local terms energy: -54.307161
where:
bonds (distance) C4'-P energy: -7.847
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -14.316
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: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -176.370754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.370754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.133978 (E_RNA)
where:
Base-Base interactions energy: -125.695
where: short stacking energy: -53.418
Base-Backbone interact. energy: -0.016
local terms energy: -60.423430
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 9.763 (S_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: 25
Temperature: 1.350000
Total energy: -174.804105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.804105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.021298 (E_RNA)
where:
Base-Base interactions energy: -127.281
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.051
local terms energy: -54.689265
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 7.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -227.823288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.823288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878933 (E_RNA)
where:
Base-Base interactions energy: -169.193
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.255
local terms energy: -58.430869
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.056 (S_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: 26
Temperature: 0.950000
Total energy: -224.333245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.333245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.382037 (E_RNA)
where:
Base-Base interactions energy: -164.392
where: short stacking energy: -66.876
Base-Backbone interact. energy: 1.711
local terms energy: -61.701870
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.049 (S_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: 26
Temperature: 1.000000
Total energy: -214.833578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.833578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.970131 (E_RNA)
where:
Base-Base interactions energy: -162.827
where: short stacking energy: -66.556
Base-Backbone interact. energy: -0.045
local terms energy: -52.097698
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -211.357430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.357430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.498374 (E_RNA)
where:
Base-Base interactions energy: -145.258
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.001
local terms energy: -66.239440
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -216.313949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.313949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.560023 (E_RNA)
where:
Base-Base interactions energy: -156.002
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.048
local terms energy: -60.509430
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -201.022680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.022680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.078813 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.016
local terms energy: -60.350492
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.056 (S_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: 26
Temperature: 1.200000
Total energy: -205.364018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.364018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.623102 (E_RNA)
where:
Base-Base interactions energy: -143.930
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.014
local terms energy: -61.679385
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -198.077228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.077228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.161853 (E_RNA)
where:
Base-Base interactions energy: -137.486
where: short stacking energy: -55.744
Base-Backbone interact. energy: 0.504
local terms energy: -61.180204
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.085 (S_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: -181.083476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.083476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.649337 (E_RNA)
where:
Base-Base interactions energy: -129.753
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.323
local terms energy: -57.573802
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 6.566 (S_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: 26
Temperature: 1.350000
Total energy: -172.690708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.690708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.413434 (E_RNA)
where:
Base-Base interactions energy: -122.668
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.003
local terms energy: -56.741777
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 6.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -230.598839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.598839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.739326 (E_RNA)
where:
Base-Base interactions energy: -162.110
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.256
local terms energy: -68.373022
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -228.011295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.011295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049058 (E_RNA)
where:
Base-Base interactions energy: -170.546
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.001
local terms energy: -57.502430
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -0.284
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. 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: -220.287891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.287891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.287891 (E_RNA)
where:
Base-Base interactions energy: -159.523
where: short stacking energy: -67.814
Base-Backbone interact. energy: 1.645
local terms energy: -62.409806
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -17.268
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: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -217.534777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.534777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.548358 (E_RNA)
where:
Base-Base interactions energy: -155.552
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.002
local terms energy: -61.994600
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -214.811282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.811282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.841046 (E_RNA)
where:
Base-Base interactions energy: -158.676
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.007
local terms energy: -56.157638
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.030 (S_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: 27
Temperature: 1.150000
Total energy: -212.228824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.228824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.301368 (E_RNA)
where:
Base-Base interactions energy: -152.365
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.070
local terms energy: -59.866398
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. 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: -200.057382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.057382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.057382 (E_RNA)
where:
Base-Base interactions energy: -146.071
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.073
local terms energy: -53.912651
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -198.587971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.587971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.599916 (E_RNA)
where:
Base-Base interactions energy: -141.576
where: short stacking energy: -53.478
Base-Backbone interact. energy: -0.240
local terms energy: -56.784299
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.012 (S_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: 27
Temperature: 1.300000
Total energy: -173.040936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.040936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.570673 (E_RNA)
where:
Base-Base interactions energy: -121.044
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.507
local terms energy: -58.019189
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 6.530 (S_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: 27
Temperature: 1.350000
Total energy: -159.649295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.649295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.170475 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -46.384
Base-Backbone interact. energy: -0.013
local terms energy: -54.457899
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 8.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -229.566105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.566105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.566105 (E_RNA)
where:
Base-Base interactions energy: -168.361
where: short stacking energy: -69.856
Base-Backbone interact. energy: -0.291
local terms energy: -60.914053
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -223.912623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.912623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.939285 (E_RNA)
where:
Base-Base interactions energy: -159.618
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.001
local terms energy: -64.320076
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.027 (S_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: 28
Temperature: 1.000000
Total energy: -212.448854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.448854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.683268 (E_RNA)
where:
Base-Base interactions energy: -149.778
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.380
local terms energy: -62.525219
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -208.469830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.469830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545349 (E_RNA)
where:
Base-Base interactions energy: -144.209
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.012
local terms energy: -64.323795
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.076 (S_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: 28
Temperature: 1.100000
Total energy: -217.841226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.841226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.855520 (E_RNA)
where:
Base-Base interactions energy: -159.030
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.003
local terms energy: -58.822891
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.014 (S_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: 28
Temperature: 1.150000
Total energy: -215.973705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.060097 (E_RNA)
where:
Base-Base interactions energy: -157.548
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.170
local terms energy: -58.342034
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.086 (S_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: 28
Temperature: 1.200000
Total energy: -208.630634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.630634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.677577 (E_RNA)
where:
Base-Base interactions energy: -148.389
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.086
local terms energy: -60.201992
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. 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: -196.683466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.683466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.950049 (E_RNA)
where:
Base-Base interactions energy: -137.240
where: short stacking energy: -54.782
Base-Backbone interact. energy: -0.021
local terms energy: -59.688254
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.267 (S_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: 28
Temperature: 1.300000
Total energy: -174.294136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.646550 (E_RNA)
where:
Base-Base interactions energy: -119.245
where: short stacking energy: -50.148
Base-Backbone interact. energy: -1.164
local terms energy: -61.238379
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 7.352 (S_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: 28
Temperature: 1.350000
Total energy: -168.743230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.156910 (E_RNA)
where:
Base-Base interactions energy: -121.167
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.690
local terms energy: -55.299608
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 8.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -233.549279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.549279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.549279 (E_RNA)
where:
Base-Base interactions energy: -168.343
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.011
local terms energy: -65.195693
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -4.695
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: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -228.319654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.319654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.609109 (E_RNA)
where:
Base-Base interactions energy: -161.455
where: short stacking energy: -68.290
Base-Backbone interact. energy: -0.288
local terms energy: -66.866389
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -214.351399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.351399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.401249 (E_RNA)
where:
Base-Base interactions energy: -152.158
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.010
local terms energy: -62.233634
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.050 (S_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: -218.494969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.494969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.725536 (E_RNA)
where:
Base-Base interactions energy: -148.504
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.122
local terms energy: -70.099214
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -209.626162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.626162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.636223 (E_RNA)
where:
Base-Base interactions energy: -148.043
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.068
local terms energy: -61.524869
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.010 (S_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: 29
Temperature: 1.150000
Total energy: -210.006661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.006661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.060951 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.035
local terms energy: -57.888930
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -211.745740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.745740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.766873 (E_RNA)
where:
Base-Base interactions energy: -147.446
where: short stacking energy: -66.120
Base-Backbone interact. energy: 0.276
local terms energy: -64.596114
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.021 (S_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: 29
Temperature: 1.250000
Total energy: -181.056736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.494474 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -55.789
Base-Backbone interact. energy: -0.003
local terms energy: -59.774650
where:
bonds (distance) C4'-P energy: -5.921
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 8.438 (S_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: -194.546077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.665347 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.329
local terms energy: -58.113282
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.119 (S_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: 29
Temperature: 1.350000
Total energy: -173.293090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.293090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.568302 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -50.275
Base-Backbone interact. energy: -1.366
local terms energy: -49.858426
where:
bonds (distance) C4'-P energy: -5.546
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 7.275 (S_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: 30
Temperature: 0.900000
Total energy: -221.264815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.264815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.349941 (E_RNA)
where:
Base-Base interactions energy: -163.430
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.006
local terms energy: -57.914184
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -224.443164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.443164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.478002 (E_RNA)
where:
Base-Base interactions energy: -163.772
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.021
local terms energy: -60.685284
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.035 (S_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: -209.978188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.978188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.093367 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -56.769
Base-Backbone interact. energy: -0.156
local terms energy: -63.306052
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.115 (S_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: 30
Temperature: 1.050000
Total energy: -216.332556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.332556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.368159 (E_RNA)
where:
Base-Base interactions energy: -157.366
where: short stacking energy: -63.522
Base-Backbone interact. energy: -0.018
local terms energy: -58.984864
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.036 (S_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: 30
Temperature: 1.100000
Total energy: -207.765512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.765512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.799682 (E_RNA)
where:
Base-Base interactions energy: -148.077
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.127
local terms energy: -59.595177
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -208.739215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.739215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.775985 (E_RNA)
where:
Base-Base interactions energy: -145.365
where: short stacking energy: -52.751
Base-Backbone interact. energy: 0.693
local terms energy: -64.103929
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -194.903584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.903584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.042440 (E_RNA)
where:
Base-Base interactions energy: -144.273
where: short stacking energy: -62.443
Base-Backbone interact. energy: -1.251
local terms energy: -57.518712
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 8.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -195.764926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.764926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.769218 (E_RNA)
where:
Base-Base interactions energy: -136.927
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.227
local terms energy: -58.615140
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -188.252135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.252135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448080 (E_RNA)
where:
Base-Base interactions energy: -133.081
where: short stacking energy: -48.817
Base-Backbone interact. energy: -0.176
local terms energy: -55.190529
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.196 (S_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: 30
Temperature: 1.350000
Total energy: -171.206418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.206418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.347825 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -51.856
Base-Backbone interact. energy: -0.339
local terms energy: -53.460512
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -8.137
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 8.141 (S_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: 31
Temperature: 0.900000
Total energy: -220.689700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.689700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.785082 (E_RNA)
where:
Base-Base interactions energy: -155.865
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.028
local terms energy: -64.892781
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.095 (S_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: 31
Temperature: 0.950000
Total energy: -216.030301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.030301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.050052 (E_RNA)
where:
Base-Base interactions energy: -157.117
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.000
local terms energy: -58.932613
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.020 (S_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: 31
Temperature: 1.000000
Total energy: -214.218704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.218704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.276257 (E_RNA)
where:
Base-Base interactions energy: -149.937
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.288
local terms energy: -64.051094
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -213.188598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.627018 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.004
local terms energy: -59.665361
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -206.887455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.887455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.982116 (E_RNA)
where:
Base-Base interactions energy: -145.713
where: short stacking energy: -62.416
Base-Backbone interact. energy: -0.069
local terms energy: -61.199593
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -198.152519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.152519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.318242 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -54.239
Base-Backbone interact. energy: -0.000
local terms energy: -55.903229
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -184.475235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.475235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.680407 (E_RNA)
where:
Base-Base interactions energy: -135.748
where: short stacking energy: -58.960
Base-Backbone interact. energy: -0.499
local terms energy: -57.433320
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -7.964
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 9.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -200.758501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.758501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.802008 (E_RNA)
where:
Base-Base interactions energy: -148.504
where: short stacking energy: -58.840
Base-Backbone interact. energy: -0.032
local terms energy: -52.266215
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -200.963110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.963110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.963110 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.433
local terms energy: -58.451396
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -175.889916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.889916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.333261 (E_RNA)
where:
Base-Base interactions energy: -125.361
where: short stacking energy: -54.617
Base-Backbone interact. energy: 0.550
local terms energy: -59.521918
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 8.443 (S_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: 32
Temperature: 0.900000
Total energy: -219.712931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.712931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.926072 (E_RNA)
where:
Base-Base interactions energy: -157.139
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.124
local terms energy: -62.663510
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.213 (S_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: 32
Temperature: 0.950000
Total energy: -217.971280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.971280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.992351 (E_RNA)
where:
Base-Base interactions energy: -159.252
where: short stacking energy: -62.688
Base-Backbone interact. energy: -0.002
local terms energy: -58.737965
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -206.882485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.882485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.938997 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.004
local terms energy: -62.673471
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.057 (S_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: 32
Temperature: 1.050000
Total energy: -214.003803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.003803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043502 (E_RNA)
where:
Base-Base interactions energy: -155.823
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.104
local terms energy: -58.116391
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.040 (S_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: 32
Temperature: 1.100000
Total energy: -212.168941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295007 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.001
local terms energy: -64.035858
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -201.883886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.883886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.890326 (E_RNA)
where:
Base-Base interactions energy: -141.409
where: short stacking energy: -54.749
Base-Backbone interact. energy: -0.097
local terms energy: -60.384385
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -203.915291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.915291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.961182 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.413
local terms energy: -61.985269
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.046 (S_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: 32
Temperature: 1.250000
Total energy: -183.606246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.606246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.567556 (E_RNA)
where:
Base-Base interactions energy: -129.873
where: short stacking energy: -55.846
Base-Backbone interact. energy: -1.147
local terms energy: -60.547324
where:
bonds (distance) C4'-P energy: -7.111
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 7.961 (S_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: -194.838243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.838243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.015814 (E_RNA)
where:
Base-Base interactions energy: -140.121
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.010
local terms energy: -61.885182
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 7.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -188.947218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.947218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.980999 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -51.560
Base-Backbone interact. energy: 0.751
local terms energy: -54.637297
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -1.549
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.034 (S_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: 33
Temperature: 0.900000
Total energy: -220.371033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.371033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.439219 (E_RNA)
where:
Base-Base interactions energy: -155.183
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.312
local terms energy: -64.943818
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.068 (S_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: 33
Temperature: 0.950000
Total energy: -219.370255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.370255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.411927 (E_RNA)
where:
Base-Base interactions energy: -149.608
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.014
local terms energy: -69.789929
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.042 (S_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: 33
Temperature: 1.000000
Total energy: -220.503177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.503177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.590510 (E_RNA)
where:
Base-Base interactions energy: -159.957
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.004
local terms energy: -60.630003
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -212.853680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.853680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.966327 (E_RNA)
where:
Base-Base interactions energy: -150.121
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.003
local terms energy: -62.842128
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.113 (S_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: 33
Temperature: 1.100000
Total energy: -201.473986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.473986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613508 (E_RNA)
where:
Base-Base interactions energy: -141.599
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.099
local terms energy: -59.915270
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -202.681817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.681817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.742581 (E_RNA)
where:
Base-Base interactions energy: -140.444
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.015
local terms energy: -62.283456
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -203.966776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.966776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.029969 (E_RNA)
where:
Base-Base interactions energy: -141.774
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.007
local terms energy: -62.249218
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.063 (S_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: 33
Temperature: 1.250000
Total energy: -189.010404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.010404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.933132 (E_RNA)
where:
Base-Base interactions energy: -135.357
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.162
local terms energy: -61.414191
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 7.923 (S_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: 33
Temperature: 1.300000
Total energy: -173.290671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.290671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.523470 (E_RNA)
where:
Base-Base interactions energy: -121.785
where: short stacking energy: -51.192
Base-Backbone interact. energy: -0.005
local terms energy: -60.733623
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 9.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -188.839007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.839007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.012146 (E_RNA)
where:
Base-Base interactions energy: -137.072
where: short stacking energy: -51.226
Base-Backbone interact. energy: -0.073
local terms energy: -51.867175
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -7.991
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.173 (S_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: 34
Temperature: 0.900000
Total energy: -224.452909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.452909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.488611 (E_RNA)
where:
Base-Base interactions energy: -152.055
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.002
local terms energy: -72.431370
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.036 (S_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: 34
Temperature: 0.950000
Total energy: -219.679906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.679906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.713829 (E_RNA)
where:
Base-Base interactions energy: -161.356
where: short stacking energy: -66.581
Base-Backbone interact. energy: 0.541
local terms energy: -58.898709
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -222.705707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.711980 (E_RNA)
where:
Base-Base interactions energy: -163.509
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.030
local terms energy: -59.172745
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.006 (S_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: 34
Temperature: 1.050000
Total energy: -230.667916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704676 (E_RNA)
where:
Base-Base interactions energy: -172.334
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.213
local terms energy: -58.157512
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -2.315
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.037 (S_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: 34
Temperature: 1.100000
Total energy: -214.027619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.064179 (E_RNA)
where:
Base-Base interactions energy: -150.449
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.058
local terms energy: -63.557317
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.037 (S_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: 34
Temperature: 1.150000
Total energy: -214.685948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.685948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.720237 (E_RNA)
where:
Base-Base interactions energy: -147.920
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.001
local terms energy: -66.799670
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -197.320774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.320774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.330569 (E_RNA)
where:
Base-Base interactions energy: -139.280
where: short stacking energy: -62.246
Base-Backbone interact. energy: -0.001
local terms energy: -58.049923
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.010 (S_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: -179.552667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.552667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.809601 (E_RNA)
where:
Base-Base interactions energy: -128.508
where: short stacking energy: -52.795
Base-Backbone interact. energy: -1.180
local terms energy: -57.121296
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -6.561
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 7.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -199.416275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.416275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.416275 (E_RNA)
where:
Base-Base interactions energy: -155.233
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.210
local terms energy: -43.972873
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -3.584
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -1.885
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -178.237550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.237550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.538831 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -56.077
Base-Backbone interact. energy: -1.572
local terms energy: -50.792050
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -8.568
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 7.301 (S_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: 35
Temperature: 0.900000
Total energy: -218.107136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.107136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.220239 (E_RNA)
where:
Base-Base interactions energy: -149.937
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.001
local terms energy: -68.282397
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.113 (S_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: 35
Temperature: 0.950000
Total energy: -226.526599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.526599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.573596 (E_RNA)
where:
Base-Base interactions energy: -168.804
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.003
local terms energy: -57.766797
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.047 (S_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: 35
Temperature: 1.000000
Total energy: -223.044191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.044191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.192806 (E_RNA)
where:
Base-Base interactions energy: -161.260
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.572
local terms energy: -61.360776
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.149 (S_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: 35
Temperature: 1.050000
Total energy: -212.754509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.754509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.913621 (E_RNA)
where:
Base-Base interactions energy: -148.490
where: short stacking energy: -63.963
Base-Backbone interact. energy: 0.302
local terms energy: -64.725697
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -220.825072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.825072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.826061 (E_RNA)
where:
Base-Base interactions energy: -164.304
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.488
local terms energy: -56.033938
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.001 (S_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: 35
Temperature: 1.150000
Total energy: -205.014160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.014160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.014160 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -62.338
Base-Backbone interact. energy: -0.043
local terms energy: -60.235042
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.731
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: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -203.056259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.056259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.237007 (E_RNA)
where:
Base-Base interactions energy: -143.166
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.100
local terms energy: -59.971142
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -200.417994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.417994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.740885 (E_RNA)
where:
Base-Base interactions energy: -153.748
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.107
local terms energy: -46.885387
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.323 (S_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: -178.868983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.868983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.956087 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.038
local terms energy: -54.696041
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 7.087 (S_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: 35
Temperature: 1.350000
Total energy: -164.866195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.866195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.011659 (E_RNA)
where:
Base-Base interactions energy: -117.683
where: short stacking energy: -51.615
Base-Backbone interact. energy: -0.059
local terms energy: -55.269140
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 8.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -233.344116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.344116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.423448 (E_RNA)
where:
Base-Base interactions energy: -172.111
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.006
local terms energy: -61.305968
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.079 (S_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: 36
Temperature: 0.950000
Total energy: -217.175800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.175800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175800 (E_RNA)
where:
Base-Base interactions energy: -162.593
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.115
local terms energy: -54.468178
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -1.818
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -212.779058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.779058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.822802 (E_RNA)
where:
Base-Base interactions energy: -155.711
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.104
local terms energy: -57.007491
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -208.438046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.438046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.438046 (E_RNA)
where:
Base-Base interactions energy: -157.173
where: short stacking energy: -65.308
Base-Backbone interact. energy: -0.034
local terms energy: -51.231399
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -12.331
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -219.445881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.445881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.464540 (E_RNA)
where:
Base-Base interactions energy: -166.340
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.875
local terms energy: -52.249079
where:
bonds (distance) C4'-P energy: -6.648
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.019 (S_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: 36
Temperature: 1.150000
Total energy: -203.083405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.203124 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -54.979
Base-Backbone interact. energy: -0.000
local terms energy: -61.163648
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -194.670846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.670846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.705915 (E_RNA)
where:
Base-Base interactions energy: -142.381
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.014
local terms energy: -52.310520
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -202.327398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.327398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.435626 (E_RNA)
where:
Base-Base interactions energy: -140.061
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.007
local terms energy: -62.367512
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.108 (S_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: 36
Temperature: 1.300000
Total energy: -176.756207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.756207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.085107 (E_RNA)
where:
Base-Base interactions energy: -126.676
where: short stacking energy: -57.406
Base-Backbone interact. energy: -0.164
local terms energy: -56.245654
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 6.329 (S_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: -177.073553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.073553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.959609 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.058
local terms energy: -62.172746
where:
bonds (distance) C4'-P energy: -6.245
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 8.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -238.163374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.163374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.354628 (E_RNA)
where:
Base-Base interactions energy: -175.569
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.014
local terms energy: -62.771984
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.191 (S_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: 37
Temperature: 0.950000
Total energy: -221.779172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.779172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.791588 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.098
local terms energy: -70.979048
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.012 (S_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: 37
Temperature: 1.000000
Total energy: -221.561186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.561186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.596011 (E_RNA)
where:
Base-Base interactions energy: -165.697
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.087
local terms energy: -55.812575
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.035 (S_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: 37
Temperature: 1.050000
Total energy: -226.546510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.546510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.554276 (E_RNA)
where:
Base-Base interactions energy: -166.584
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.103
local terms energy: -59.866930
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.008 (S_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: 37
Temperature: 1.100000
Total energy: -201.746124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.746124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.754507 (E_RNA)
where:
Base-Base interactions energy: -141.894
where: short stacking energy: -58.364
Base-Backbone interact. energy: -0.007
local terms energy: -59.852964
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -208.990364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.990364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.082538 (E_RNA)
where:
Base-Base interactions energy: -155.726
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.020
local terms energy: -53.336383
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -198.771997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.771997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783531 (E_RNA)
where:
Base-Base interactions energy: -138.413
where: short stacking energy: -54.645
Base-Backbone interact. energy: -0.189
local terms energy: -60.181554
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -194.339988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.339988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.400443 (E_RNA)
where:
Base-Base interactions energy: -132.812
where: short stacking energy: -48.383
Base-Backbone interact. energy: -0.041
local terms energy: -61.546845
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -170.846760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.846760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.714654 (E_RNA)
where:
Base-Base interactions energy: -120.974
where: short stacking energy: -52.051
Base-Backbone interact. energy: -0.642
local terms energy: -57.098625
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 7.868 (S_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: -168.061123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.061123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.880257 (E_RNA)
where:
Base-Base interactions energy: -129.688
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.107
local terms energy: -46.084659
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 7.819 (S_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: 38
Temperature: 0.900000
Total energy: -240.993986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.993986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.993986 (E_RNA)
where:
Base-Base interactions energy: -176.335
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.003
local terms energy: -64.655701
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -3.844
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: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -228.305886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.305886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.305886 (E_RNA)
where:
Base-Base interactions energy: -162.053
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.001
local terms energy: -66.252081
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -224.760843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.760843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.775522 (E_RNA)
where:
Base-Base interactions energy: -161.967
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.017
local terms energy: -62.791300
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.015 (S_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: 38
Temperature: 1.050000
Total energy: -219.933242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.933242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.939146 (E_RNA)
where:
Base-Base interactions energy: -154.080
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.402
local terms energy: -65.457047
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -202.713436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.713436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.872186 (E_RNA)
where:
Base-Base interactions energy: -141.235
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.001
local terms energy: -61.636164
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -207.719272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.719272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.720695 (E_RNA)
where:
Base-Base interactions energy: -146.698
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.002
local terms energy: -61.020248
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -199.495944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.495944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.777977 (E_RNA)
where:
Base-Base interactions energy: -136.023
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.082
local terms energy: -63.673457
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. 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: -198.641624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.641624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.670743 (E_RNA)
where:
Base-Base interactions energy: -138.881
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.084
local terms energy: -59.705642
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -179.382588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.382588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.085900 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -54.112
Base-Backbone interact. energy: -0.904
local terms energy: -59.242127
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 6.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -169.665358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.665358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.269196 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.657
local terms energy: -47.426841
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 7.604 (S_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: 39
Temperature: 0.900000
Total energy: -225.285869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.285869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.308109 (E_RNA)
where:
Base-Base interactions energy: -165.072
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.135
local terms energy: -60.100404
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.022 (S_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: 39
Temperature: 0.950000
Total energy: -235.074952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.074952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.081920 (E_RNA)
where:
Base-Base interactions energy: -173.767
where: short stacking energy: -68.013
Base-Backbone interact. energy: -0.067
local terms energy: -61.248207
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -222.045956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.045956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.067131 (E_RNA)
where:
Base-Base interactions energy: -152.734
where: short stacking energy: -63.115
Base-Backbone interact. energy: -0.002
local terms energy: -69.331683
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -207.852159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.852159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.146057 (E_RNA)
where:
Base-Base interactions energy: -142.509
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.261
local terms energy: -65.376674
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.294 (S_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: 39
Temperature: 1.100000
Total energy: -216.736746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.736746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.744496 (E_RNA)
where:
Base-Base interactions energy: -156.199
where: short stacking energy: -62.277
Base-Backbone interact. energy: 0.922
local terms energy: -61.467837
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -199.115370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.115370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.476717 (E_RNA)
where:
Base-Base interactions energy: -133.919
where: short stacking energy: -53.837
Base-Backbone interact. energy: -0.330
local terms energy: -65.227272
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -203.426333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.426333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.510553 (E_RNA)
where:
Base-Base interactions energy: -140.528
where: short stacking energy: -56.397
Base-Backbone interact. energy: 0.459
local terms energy: -63.441326
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -174.060388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.060388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.113752 (E_RNA)
where:
Base-Base interactions energy: -127.309
where: short stacking energy: -54.407
Base-Backbone interact. energy: -0.554
local terms energy: -54.250942
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 8.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -198.720068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.720068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.737070 (E_RNA)
where:
Base-Base interactions energy: -136.747
where: short stacking energy: -57.374
Base-Backbone interact. energy: -0.000
local terms energy: -61.989408
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -166.078935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.078935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.302800 (E_RNA)
where:
Base-Base interactions energy: -116.758
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.177
local terms energy: -56.368021
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 7.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -221.863855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.863855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.863855 (E_RNA)
where:
Base-Base interactions energy: -158.912
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.003
local terms energy: -62.948954
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -234.392056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.392056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.539302 (E_RNA)
where:
Base-Base interactions energy: -169.978
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.004
local terms energy: -64.556603
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -211.472580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.533458 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.003
local terms energy: -59.910027
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -217.646404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.646404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.729663 (E_RNA)
where:
Base-Base interactions energy: -161.946
where: short stacking energy: -62.743
Base-Backbone interact. energy: -0.243
local terms energy: -55.541391
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -2.492
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.083 (S_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: 40
Temperature: 1.100000
Total energy: -211.027678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.027678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.169975 (E_RNA)
where:
Base-Base interactions energy: -152.540
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.015
local terms energy: -58.615266
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.142 (S_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: -204.783686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.783686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.156520 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.028
local terms energy: -61.541481
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -197.280607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.280607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.360209 (E_RNA)
where:
Base-Base interactions energy: -137.813
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.283
local terms energy: -59.264765
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -175.658134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.658134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.222158 (E_RNA)
where:
Base-Base interactions energy: -131.586
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.097
local terms energy: -51.539082
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 7.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -178.723859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.723859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.669373 (E_RNA)
where:
Base-Base interactions energy: -127.168
where: short stacking energy: -50.789
Base-Backbone interact. energy: -0.002
local terms energy: -58.499822
where:
bonds (distance) C4'-P energy: -7.426
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 6.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -198.922490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.184379 (E_RNA)
where:
Base-Base interactions energy: -143.729
where: short stacking energy: -54.799
Base-Backbone interact. energy: -0.005
local terms energy: -55.450106
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -222.385105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.385105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.408864 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.012
local terms energy: -71.548599
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.024 (S_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: 41
Temperature: 0.950000
Total energy: -227.805087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.805087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.874830 (E_RNA)
where:
Base-Base interactions energy: -167.832
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.047
local terms energy: -59.996050
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -222.682110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.682110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.994648 (E_RNA)
where:
Base-Base interactions energy: -162.180
where: short stacking energy: -64.682
Base-Backbone interact. energy: -0.979
local terms energy: -59.835411
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.313 (S_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: 41
Temperature: 1.050000
Total energy: -212.899907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.899907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.976780 (E_RNA)
where:
Base-Base interactions energy: -159.117
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.001
local terms energy: -53.858858
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -224.787130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.787130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.043722 (E_RNA)
where:
Base-Base interactions energy: -165.728
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.230
local terms energy: -59.085163
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -200.749554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.749554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.790669 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.001
local terms energy: -62.676649
where:
bonds (distance) C4'-P energy: -7.749
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -203.912389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.912389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.950999 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.002
local terms energy: -60.984054
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.039 (S_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: 41
Temperature: 1.250000
Total energy: -175.838583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.838583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.321215 (E_RNA)
where:
Base-Base interactions energy: -119.287
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.002
local terms energy: -64.031986
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 7.483 (S_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: 41
Temperature: 1.300000
Total energy: -178.893364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.893364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.027013 (E_RNA)
where:
Base-Base interactions energy: -132.300
where: short stacking energy: -54.903
Base-Backbone interact. energy: 1.781
local terms energy: -55.508138
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 7.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -199.444260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.444260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.467375 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -54.304
Base-Backbone interact. energy: 0.185
local terms energy: -61.296338
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.023 (S_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: 42
Temperature: 0.900000
Total energy: -234.454571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.454571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.474740 (E_RNA)
where:
Base-Base interactions energy: -170.722
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.009
local terms energy: -63.743597
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -217.501450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.501450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.855721 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.000
local terms energy: -61.659171
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.354 (S_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: 42
Temperature: 1.000000
Total energy: -213.766306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.766306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.771846 (E_RNA)
where:
Base-Base interactions energy: -162.550
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.045
local terms energy: -51.176939
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -9.186
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -217.990549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.034943 (E_RNA)
where:
Base-Base interactions energy: -156.543
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.033
local terms energy: -61.458766
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.044 (S_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: 42
Temperature: 1.100000
Total energy: -212.936129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.936129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.943509 (E_RNA)
where:
Base-Base interactions energy: -153.638
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.100
local terms energy: -59.205803
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -207.816450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.816450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.823715 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.171
local terms energy: -57.806582
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -200.436397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.436397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.519665 (E_RNA)
where:
Base-Base interactions energy: -141.781
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.005
local terms energy: -58.734371
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.083 (S_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: 42
Temperature: 1.250000
Total energy: -177.938083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.938083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.895366 (E_RNA)
where:
Base-Base interactions energy: -135.168
where: short stacking energy: -56.398
Base-Backbone interact. energy: -0.799
local terms energy: -48.928036
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -5.912
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -197.492912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.492912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876268 (E_RNA)
where:
Base-Base interactions energy: -132.658
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.001
local terms energy: -65.217560
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.383 (S_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: 42
Temperature: 1.350000
Total energy: -167.297267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.297267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.381235 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.055
local terms energy: -49.166983
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 8.084 (S_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: 43
Temperature: 0.900000
Total energy: -237.221070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.221070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.258517 (E_RNA)
where:
Base-Base interactions energy: -171.999
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.006
local terms energy: -65.253438
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.037 (S_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: 43
Temperature: 0.950000
Total energy: -225.461618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.461618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.480825 (E_RNA)
where:
Base-Base interactions energy: -168.791
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.068
local terms energy: -56.622044
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -208.532246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.532246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.579990 (E_RNA)
where:
Base-Base interactions energy: -146.031
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.216
local terms energy: -62.332722
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -208.645992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.645992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.791509 (E_RNA)
where:
Base-Base interactions energy: -145.752
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.089
local terms energy: -62.950274
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.146 (S_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: 43
Temperature: 1.100000
Total energy: -207.805868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.805868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.896585 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -59.209
Base-Backbone interact. energy: 0.468
local terms energy: -65.036751
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.091 (S_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: -205.672944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.672944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.682722 (E_RNA)
where:
Base-Base interactions energy: -150.348
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.342
local terms energy: -54.992214
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -205.279004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.279004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289719 (E_RNA)
where:
Base-Base interactions energy: -139.233
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.001
local terms energy: -66.055902
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -207.218253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.218253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.355149 (E_RNA)
where:
Base-Base interactions energy: -143.733
where: short stacking energy: -58.914
Base-Backbone interact. energy: -0.001
local terms energy: -63.621245
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -170.594096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.594096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.075246 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -50.050
Base-Backbone interact. energy: -0.038
local terms energy: -57.545015
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 8.481 (S_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: 43
Temperature: 1.350000
Total energy: -170.065476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.065476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.728726 (E_RNA)
where:
Base-Base interactions energy: -119.064
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.971
local terms energy: -59.694440
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 9.663 (S_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: 44
Temperature: 0.900000
Total energy: -234.716024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.716024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.722163 (E_RNA)
where:
Base-Base interactions energy: -172.102
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.001
local terms energy: -62.618234
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.006 (S_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: 44
Temperature: 0.950000
Total energy: -225.473818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.473818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.563512 (E_RNA)
where:
Base-Base interactions energy: -163.551
where: short stacking energy: -65.145
Base-Backbone interact. energy: 0.252
local terms energy: -62.264101
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -207.761726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.761726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.819197 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.001
local terms energy: -64.095261
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -211.839857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.839857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.954633 (E_RNA)
where:
Base-Base interactions energy: -151.284
where: short stacking energy: -54.624
Base-Backbone interact. energy: 0.608
local terms energy: -61.278349
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -203.918740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.918740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.023765 (E_RNA)
where:
Base-Base interactions energy: -145.269
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.286
local terms energy: -58.469558
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -198.905787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.079808 (E_RNA)
where:
Base-Base interactions energy: -136.708
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.013
local terms energy: -62.358776
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.174 (S_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: 44
Temperature: 1.200000
Total energy: -210.586748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.586748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.598105 (E_RNA)
where:
Base-Base interactions energy: -152.598
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.020
local terms energy: -57.980088
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -206.988260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.988260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.109939 (E_RNA)
where:
Base-Base interactions energy: -148.479
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.005
local terms energy: -58.625609
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.122 (S_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: 44
Temperature: 1.300000
Total energy: -177.396059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.396059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.290739 (E_RNA)
where:
Base-Base interactions energy: -128.847
where: short stacking energy: -48.330
Base-Backbone interact. energy: -0.309
local terms energy: -55.134383
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 6.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -173.970993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.970993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.719876 (E_RNA)
where:
Base-Base interactions energy: -114.999
where: short stacking energy: -47.274
Base-Backbone interact. energy: -0.105
local terms energy: -66.616050
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 7.749 (S_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: 45
Temperature: 0.900000
Total energy: -229.649303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.649303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.737806 (E_RNA)
where:
Base-Base interactions energy: -173.683
where: short stacking energy: -66.755
Base-Backbone interact. energy: -0.651
local terms energy: -55.404190
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -0.518
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.089 (S_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: -234.424477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.424477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.436959 (E_RNA)
where:
Base-Base interactions energy: -177.600
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.006
local terms energy: -56.831020
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -0.349
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -211.739248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.739248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.761750 (E_RNA)
where:
Base-Base interactions energy: -146.372
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.009
local terms energy: -65.380754
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -211.599430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.599430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.599430 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.014
local terms energy: -71.671671
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -15.723
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: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -207.186151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.186151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.212345 (E_RNA)
where:
Base-Base interactions energy: -144.229
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.004
local terms energy: -62.979042
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.026 (S_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: 45
Temperature: 1.150000
Total energy: -209.840809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.840809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.861798 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.305
local terms energy: -59.079585
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.021 (S_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: 45
Temperature: 1.200000
Total energy: -201.373314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.373314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.373314 (E_RNA)
where:
Base-Base interactions energy: -139.496
where: short stacking energy: -56.990
Base-Backbone interact. energy: 0.583
local terms energy: -62.459806
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -201.035017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.035017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.035017 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -55.209
Base-Backbone interact. energy: -0.050
local terms energy: -60.198545
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -179.655357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.655357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.262014 (E_RNA)
where:
Base-Base interactions energy: -128.695
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.915
local terms energy: -58.652047
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 8.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -174.635362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.635362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.371429 (E_RNA)
where:
Base-Base interactions energy: -129.356
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.071
local terms energy: -51.943919
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 6.736 (S_DIST_RNA)
chem. 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: -237.354006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.354006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455769 (E_RNA)
where:
Base-Base interactions energy: -174.381
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.158
local terms energy: -62.916544
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.102 (S_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: 46
Temperature: 0.950000
Total energy: -230.248127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.248127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.248127 (E_RNA)
where:
Base-Base interactions energy: -167.455
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.214
local terms energy: -62.578526
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -220.115909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.115909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.141445 (E_RNA)
where:
Base-Base interactions energy: -159.387
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.001
local terms energy: -60.753863
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -202.034595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.034595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.043256 (E_RNA)
where:
Base-Base interactions energy: -151.510
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.283
local terms energy: -50.249900
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -6.916
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.009 (S_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: 46
Temperature: 1.100000
Total energy: -212.296436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.296436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.322302 (E_RNA)
where:
Base-Base interactions energy: -145.960
where: short stacking energy: -59.512
Base-Backbone interact. energy: -0.102
local terms energy: -66.260888
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.026 (S_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: 46
Temperature: 1.150000
Total energy: -203.142022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.142022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.195622 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.001
local terms energy: -60.344846
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -207.344934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.344934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442259 (E_RNA)
where:
Base-Base interactions energy: -144.753
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.007
local terms energy: -62.682679
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -207.114103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.114103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.195389 (E_RNA)
where:
Base-Base interactions energy: -146.341
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.001
local terms energy: -60.853208
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.081 (S_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: 46
Temperature: 1.300000
Total energy: -182.595638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.969915 (E_RNA)
where:
Base-Base interactions energy: -132.841
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.000
local terms energy: -57.128137
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 7.374 (S_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: -184.277701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.277701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.579006 (E_RNA)
where:
Base-Base interactions energy: -128.536
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.018
local terms energy: -63.025256
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 7.301 (S_DIST_RNA)
chem. 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: -228.122755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.122755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.122755 (E_RNA)
where:
Base-Base interactions energy: -167.606
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.043
local terms energy: -60.473827
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -224.411966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.411966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.436508 (E_RNA)
where:
Base-Base interactions energy: -162.906
where: short stacking energy: -64.808
Base-Backbone interact. energy: -0.042
local terms energy: -61.488338
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.025 (S_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: 47
Temperature: 1.000000
Total energy: -218.118592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.118592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.181245 (E_RNA)
where:
Base-Base interactions energy: -160.398
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.008
local terms energy: -57.775123
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.063 (S_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: 47
Temperature: 1.050000
Total energy: -209.241900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.241900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.298922 (E_RNA)
where:
Base-Base interactions energy: -147.588
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.211
local terms energy: -61.500212
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.057 (S_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: 47
Temperature: 1.100000
Total energy: -203.997784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.997784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182758 (E_RNA)
where:
Base-Base interactions energy: -145.001
where: short stacking energy: -55.019
Base-Backbone interact. energy: -0.250
local terms energy: -58.931798
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -205.347310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.347310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.354781 (E_RNA)
where:
Base-Base interactions energy: -147.523
where: short stacking energy: -59.371
Base-Backbone interact. energy: 2.055
local terms energy: -59.886371
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.007 (S_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: 47
Temperature: 1.200000
Total energy: -205.696660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.696660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.700026 (E_RNA)
where:
Base-Base interactions energy: -142.529
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.669
local terms energy: -62.502201
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.003 (S_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: 47
Temperature: 1.250000
Total energy: -199.238659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.238659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288210 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -52.971
Base-Backbone interact. energy: -0.453
local terms energy: -62.420463
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 0.050 (S_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: 47
Temperature: 1.300000
Total energy: -175.384337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.384337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.936081 (E_RNA)
where:
Base-Base interactions energy: -123.289
where: short stacking energy: -52.272
Base-Backbone interact. energy: -1.069
local terms energy: -59.577892
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 8.552 (S_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: -182.667237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.667237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.880013 (E_RNA)
where:
Base-Base interactions energy: -129.983
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.575
local terms energy: -59.321836
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 7.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -225.256365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.256365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.362177 (E_RNA)
where:
Base-Base interactions energy: -160.267
where: short stacking energy: -65.898
Base-Backbone interact. energy: 0.294
local terms energy: -65.389402
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.106 (S_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: 48
Temperature: 0.950000
Total energy: -231.514131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514131 (E_RNA)
where:
Base-Base interactions energy: -170.907
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.353
local terms energy: -60.253866
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -0.198
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -215.547487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.547487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.609199 (E_RNA)
where:
Base-Base interactions energy: -153.475
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.001
local terms energy: -62.134136
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.062 (S_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: 48
Temperature: 1.050000
Total energy: -217.465511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.465511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.613528 (E_RNA)
where:
Base-Base interactions energy: -156.903
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.002
local terms energy: -60.708207
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -210.774174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.774174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.832343 (E_RNA)
where:
Base-Base interactions energy: -145.006
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.004
local terms energy: -65.821970
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -208.369097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.369097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414601 (E_RNA)
where:
Base-Base interactions energy: -143.454
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.014
local terms energy: -64.946506
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -199.951726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.951726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.000994 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.249
local terms energy: -62.875331
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.049 (S_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: 48
Temperature: 1.250000
Total energy: -195.490323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.490323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.887613 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -53.240
Base-Backbone interact. energy: -0.422
local terms energy: -52.568359
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -6.950
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.397 (S_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: 48
Temperature: 1.300000
Total energy: -184.011157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.011157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.799612 (E_RNA)
where:
Base-Base interactions energy: -138.974
where: short stacking energy: -60.618
Base-Backbone interact. energy: 0.088
local terms energy: -53.913463
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 8.788 (S_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: 48
Temperature: 1.350000
Total energy: -170.307974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.307974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.403622 (E_RNA)
where:
Base-Base interactions energy: -125.518
where: short stacking energy: -53.108
Base-Backbone interact. energy: -0.458
local terms energy: -52.427824
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -7.266
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 8.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -218.691612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.722210 (E_RNA)
where:
Base-Base interactions energy: -157.072
where: short stacking energy: -61.068
Base-Backbone interact. energy: 0.863
local terms energy: -62.513375
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -233.424939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.424939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.438679 (E_RNA)
where:
Base-Base interactions energy: -171.121
where: short stacking energy: -68.266
Base-Backbone interact. energy: -0.126
local terms energy: -62.192125
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.014 (S_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: 49
Temperature: 1.000000
Total energy: -235.889345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.889345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.897851 (E_RNA)
where:
Base-Base interactions energy: -173.173
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.026
local terms energy: -62.698558
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.009 (S_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: -201.561604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.576207 (E_RNA)
where:
Base-Base interactions energy: -141.881
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.035
local terms energy: -59.659545
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -211.077228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.077228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.099303 (E_RNA)
where:
Base-Base interactions energy: -156.897
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.032
local terms energy: -54.170248
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.022 (S_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: -214.126432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.147419 (E_RNA)
where:
Base-Base interactions energy: -153.127
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.034
local terms energy: -60.986193
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. 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: -212.408565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.408565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609831 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.225
local terms energy: -53.932074
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.201 (S_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: 49
Temperature: 1.250000
Total energy: -188.217950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.217950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.424235 (E_RNA)
where:
Base-Base interactions energy: -130.846
where: short stacking energy: -53.274
Base-Backbone interact. energy: -0.026
local terms energy: -65.552258
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 8.206 (S_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: 49
Temperature: 1.300000
Total energy: -189.757343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.757343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.760718 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.116
local terms energy: -54.651757
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -12.773
Dist. restrs. and SS energy: 0.003 (S_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: 49
Temperature: 1.350000
Total energy: -181.741811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.741811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.433982 (E_RNA)
where:
Base-Base interactions energy: -123.952
where: short stacking energy: -55.517
Base-Backbone interact. energy: -0.139
local terms energy: -65.342861
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 7.692 (S_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: 50
Temperature: 0.900000
Total energy: -230.100552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.100552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.118207 (E_RNA)
where:
Base-Base interactions energy: -171.413
where: short stacking energy: -70.610
Base-Backbone interact. energy: 0.033
local terms energy: -58.738627
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.018 (S_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: 50
Temperature: 0.950000
Total energy: -223.365749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.365749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.436673 (E_RNA)
where:
Base-Base interactions energy: -154.550
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.003
local terms energy: -68.884052
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.071 (S_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: 50
Temperature: 1.000000
Total energy: -221.066590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.066590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.118942 (E_RNA)
where:
Base-Base interactions energy: -155.682
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.731
local terms energy: -64.705382
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.052 (S_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: 50
Temperature: 1.050000
Total energy: -228.107101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.107101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.128254 (E_RNA)
where:
Base-Base interactions energy: -163.742
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.039
local terms energy: -64.346964
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.021 (S_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: -209.308466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.308466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.418982 (E_RNA)
where:
Base-Base interactions energy: -151.093
where: short stacking energy: -59.069
Base-Backbone interact. energy: 0.601
local terms energy: -58.927017
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -207.739560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.818188 (E_RNA)
where:
Base-Base interactions energy: -139.593
where: short stacking energy: -55.631
Base-Backbone interact. energy: -0.000
local terms energy: -68.224982
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.079 (S_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: 50
Temperature: 1.200000
Total energy: -192.101491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.101491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.116627 (E_RNA)
where:
Base-Base interactions energy: -143.327
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.045
local terms energy: -55.744663
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 7.015 (S_DIST_RNA)
chem. 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: -199.237379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.237379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.327136 (E_RNA)
where:
Base-Base interactions energy: -140.732
where: short stacking energy: -55.226
Base-Backbone interact. energy: -0.289
local terms energy: -58.305472
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.090 (S_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: 50
Temperature: 1.300000
Total energy: -186.186255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.186255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708415 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -59.143
Base-Backbone interact. energy: 0.016
local terms energy: -58.244255
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 8.522 (S_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: 50
Temperature: 1.350000
Total energy: -191.428384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.483238 (E_RNA)
where:
Base-Base interactions energy: -130.458
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.577
local terms energy: -60.448922
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.055 (S_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: 51
Temperature: 0.900000
Total energy: -216.640975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.640975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.646820 (E_RNA)
where:
Base-Base interactions energy: -148.716
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.062
local terms energy: -67.868667
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.006 (S_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: 51
Temperature: 0.950000
Total energy: -219.455308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.455308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.521682 (E_RNA)
where:
Base-Base interactions energy: -150.438
where: short stacking energy: -64.458
Base-Backbone interact. energy: -0.000
local terms energy: -69.083196
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.066 (S_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: 51
Temperature: 1.000000
Total energy: -218.934271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.934271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.950741 (E_RNA)
where:
Base-Base interactions energy: -155.228
where: short stacking energy: -52.638
Base-Backbone interact. energy: 0.522
local terms energy: -64.244472
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -210.717211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.717211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.849293 (E_RNA)
where:
Base-Base interactions energy: -147.680
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.075
local terms energy: -63.094577
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.132 (S_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: 51
Temperature: 1.100000
Total energy: -214.013594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043125 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.018
local terms energy: -63.306347
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.030 (S_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: 51
Temperature: 1.150000
Total energy: -189.570097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.570097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.044048 (E_RNA)
where:
Base-Base interactions energy: -134.035
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.885
local terms energy: -62.123773
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 7.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -205.225581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.225581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.377556 (E_RNA)
where:
Base-Base interactions energy: -153.534
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.152
local terms energy: -51.691521
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -178.172161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.172161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.096693 (E_RNA)
where:
Base-Base interactions energy: -127.905
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.086
local terms energy: -60.105168
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 9.925 (S_DIST_RNA)
chem. 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: -202.954532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.954532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.053603 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.028
local terms energy: -62.618960
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.099 (S_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: 51
Temperature: 1.350000
Total energy: -185.126116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.126116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.191833 (E_RNA)
where:
Base-Base interactions energy: -133.269
where: short stacking energy: -57.214
Base-Backbone interact. energy: -0.051
local terms energy: -51.871475
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.066 (S_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: 52
Temperature: 0.900000
Total energy: -232.837350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.837350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.909997 (E_RNA)
where:
Base-Base interactions energy: -161.862
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.197
local terms energy: -70.851365
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.073 (S_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: 52
Temperature: 0.950000
Total energy: -210.491759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.491759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.522850 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -56.087
Base-Backbone interact. energy: -0.092
local terms energy: -67.815338
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.031 (S_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: 52
Temperature: 1.000000
Total energy: -213.189392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.189392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.189392 (E_RNA)
where:
Base-Base interactions energy: -148.364
where: short stacking energy: -59.983
Base-Backbone interact. energy: -0.001
local terms energy: -64.824751
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.837
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: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -217.932146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.932146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.981612 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -62.616
Base-Backbone interact. energy: -0.018
local terms energy: -67.167246
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.049 (S_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: 52
Temperature: 1.100000
Total energy: -208.595934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.595934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.632297 (E_RNA)
where:
Base-Base interactions energy: -146.372
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.099
local terms energy: -62.160628
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.036 (S_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: 52
Temperature: 1.150000
Total energy: -192.750211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.750211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.455110 (E_RNA)
where:
Base-Base interactions energy: -145.205
where: short stacking energy: -58.097
Base-Backbone interact. energy: -0.026
local terms energy: -56.224123
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 8.705 (S_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: 52
Temperature: 1.200000
Total energy: -198.268091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.268091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.209350 (E_RNA)
where:
Base-Base interactions energy: -144.161
where: short stacking energy: -59.868
Base-Backbone interact. energy: -1.063
local terms energy: -60.985633
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 7.941 (S_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: 52
Temperature: 1.250000
Total energy: -200.837567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.837567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.837567 (E_RNA)
where:
Base-Base interactions energy: -141.477
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.088
local terms energy: -59.272714
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -189.697252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.697252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.791528 (E_RNA)
where:
Base-Base interactions energy: -132.453
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.310
local terms energy: -57.028159
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.094 (S_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: 52
Temperature: 1.350000
Total energy: -190.728134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.728134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.891159 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.096
local terms energy: -52.206031
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -4.562
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.163 (S_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: 53
Temperature: 0.900000
Total energy: -227.239597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.239597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.240241 (E_RNA)
where:
Base-Base interactions energy: -163.404
where: short stacking energy: -69.630
Base-Backbone interact. energy: -0.000
local terms energy: -63.836264
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.001 (S_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: 53
Temperature: 0.950000
Total energy: -221.575339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.575339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617897 (E_RNA)
where:
Base-Base interactions energy: -158.274
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.007
local terms energy: -63.337609
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. 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: -217.658094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.658094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.713479 (E_RNA)
where:
Base-Base interactions energy: -157.118
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.301
local terms energy: -60.293844
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.055 (S_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: 53
Temperature: 1.050000
Total energy: -217.259499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.259499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.261466 (E_RNA)
where:
Base-Base interactions energy: -150.641
where: short stacking energy: -68.009
Base-Backbone interact. energy: -0.195
local terms energy: -66.425645
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -212.982673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.982673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.161525 (E_RNA)
where:
Base-Base interactions energy: -143.739
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.131
local terms energy: -69.292130
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.179 (S_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: 53
Temperature: 1.150000
Total energy: -187.659218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.659218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.320147 (E_RNA)
where:
Base-Base interactions energy: -130.970
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.029
local terms energy: -63.321776
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 6.661 (S_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: 53
Temperature: 1.200000
Total energy: -189.784224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.784224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.287845 (E_RNA)
where:
Base-Base interactions energy: -141.293
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.742
local terms energy: -56.252665
where:
bonds (distance) C4'-P energy: -6.481
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 8.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -206.089312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.089312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.202693 (E_RNA)
where:
Base-Base interactions energy: -153.756
where: short stacking energy: -59.649
Base-Backbone interact. energy: -0.058
local terms energy: -52.389048
where:
bonds (distance) C4'-P energy: -4.373
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -197.733601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.733601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.749790 (E_RNA)
where:
Base-Base interactions energy: -136.571
where: short stacking energy: -47.928
Base-Backbone interact. energy: 0.004
local terms energy: -61.183060
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.016 (S_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: 53
Temperature: 1.350000
Total energy: -194.588382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.588382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.687129 (E_RNA)
where:
Base-Base interactions energy: -141.557
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.065
local terms energy: -53.065858
where:
bonds (distance) C4'-P energy: -6.000
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.099 (S_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: 54
Temperature: 0.900000
Total energy: -219.613163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.622716 (E_RNA)
where:
Base-Base interactions energy: -150.857
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.059
local terms energy: -68.706867
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -218.699956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.699956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.751244 (E_RNA)
where:
Base-Base interactions energy: -147.254
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.000
local terms energy: -71.497305
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -206.191534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.191534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.247738 (E_RNA)
where:
Base-Base interactions energy: -151.654
where: short stacking energy: -53.914
Base-Backbone interact. energy: -0.000
local terms energy: -54.593299
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.056 (S_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: 54
Temperature: 1.050000
Total energy: -209.680567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.680567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.690709 (E_RNA)
where:
Base-Base interactions energy: -150.119
where: short stacking energy: -65.951
Base-Backbone interact. energy: 0.784
local terms energy: -60.355290
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -212.502494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.627908 (E_RNA)
where:
Base-Base interactions energy: -150.972
where: short stacking energy: -60.697
Base-Backbone interact. energy: 0.389
local terms energy: -62.044391
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.125 (S_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: 54
Temperature: 1.150000
Total energy: -186.401701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.401701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.917254 (E_RNA)
where:
Base-Base interactions energy: -135.920
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.049
local terms energy: -58.948743
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 8.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -206.582584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.697969 (E_RNA)
where:
Base-Base interactions energy: -141.814
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.298
local terms energy: -64.585977
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.115 (S_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: 54
Temperature: 1.250000
Total energy: -169.195853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.195853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.328464 (E_RNA)
where:
Base-Base interactions energy: -125.767
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.072
local terms energy: -52.488731
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 9.133 (S_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: 54
Temperature: 1.300000
Total energy: -207.521012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.696467 (E_RNA)
where:
Base-Base interactions energy: -145.294
where: short stacking energy: -61.986
Base-Backbone interact. energy: -0.339
local terms energy: -62.063996
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -191.737742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.737742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.741375 (E_RNA)
where:
Base-Base interactions energy: -133.607
where: short stacking energy: -53.762
Base-Backbone interact. energy: -0.270
local terms energy: -57.865099
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.004 (S_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: 55
Temperature: 0.900000
Total energy: -225.704676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.704676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.714123 (E_RNA)
where:
Base-Base interactions energy: -160.532
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.015
local terms energy: -65.166616
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.009 (S_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: 55
Temperature: 0.950000
Total energy: -217.692672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.692672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.692672 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.062
local terms energy: -70.485342
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -10.628
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: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -224.517508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.517508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.607357 (E_RNA)
where:
Base-Base interactions energy: -160.473
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.017
local terms energy: -64.117805
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -225.775133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.775133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.804002 (E_RNA)
where:
Base-Base interactions energy: -168.641
where: short stacking energy: -66.557
Base-Backbone interact. energy: -0.013
local terms energy: -57.150214
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -207.446389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.446389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.462811 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.055
local terms energy: -61.478937
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -209.954000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.954000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.992817 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.007
local terms energy: -67.758796
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -183.690618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.690618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.499286 (E_RNA)
where:
Base-Base interactions energy: -135.742
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.048
local terms energy: -55.709122
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 7.809 (S_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: 55
Temperature: 1.250000
Total energy: -201.298904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.298904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.343552 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.135
local terms energy: -61.153866
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -190.970774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.970774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.623251 (E_RNA)
where:
Base-Base interactions energy: -135.646
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.020
local terms energy: -62.957197
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 7.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -192.026570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.026570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.103880 (E_RNA)
where:
Base-Base interactions energy: -142.781
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.001
local terms energy: -49.322002
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -8.063
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -220.891189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.891189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891189 (E_RNA)
where:
Base-Base interactions energy: -154.393
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.042
local terms energy: -66.455749
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -6.513
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: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -225.349155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.349155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.387493 (E_RNA)
where:
Base-Base interactions energy: -170.043
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.177
local terms energy: -55.167367
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -7.085
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.038 (S_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: 56
Temperature: 1.000000
Total energy: -220.393416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.393416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.435176 (E_RNA)
where:
Base-Base interactions energy: -163.998
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.011
local terms energy: -56.425599
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.042 (S_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: 56
Temperature: 1.050000
Total energy: -206.314851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.314851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.329521 (E_RNA)
where:
Base-Base interactions energy: -143.528
where: short stacking energy: -62.284
Base-Backbone interact. energy: -0.000
local terms energy: -62.801211
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -213.391609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.391609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.454007 (E_RNA)
where:
Base-Base interactions energy: -153.367
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.003
local terms energy: -60.084022
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -202.284610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.284610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.284610 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.196
local terms energy: -57.615040
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -13.158
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: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -204.857736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.857736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.933093 (E_RNA)
where:
Base-Base interactions energy: -147.519
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.696
local terms energy: -56.718338
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -182.909034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.909034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.594997 (E_RNA)
where:
Base-Base interactions energy: -138.563
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.061
local terms energy: -52.970978
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 8.686 (S_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: 56
Temperature: 1.300000
Total energy: -194.235074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.235074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.235074 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.335
local terms energy: -58.433754
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -172.138401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.138401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.442790 (E_RNA)
where:
Base-Base interactions energy: -124.073
where: short stacking energy: -51.450
Base-Backbone interact. energy: -1.356
local terms energy: -55.013557
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 8.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -238.904097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.904097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.904097 (E_RNA)
where:
Base-Base interactions energy: -171.515
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.021
local terms energy: -67.368804
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -230.603364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.603364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.603364 (E_RNA)
where:
Base-Base interactions energy: -169.254
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.664
local terms energy: -60.685063
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -216.061324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.061324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.061324 (E_RNA)
where:
Base-Base interactions energy: -153.348
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.293
local terms energy: -62.420356
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -216.656750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.656750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.656750 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.007
local terms energy: -58.444911
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -15.183
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -204.472473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.472473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.559513 (E_RNA)
where:
Base-Base interactions energy: -143.937
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.300
local terms energy: -60.322765
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.087 (S_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: 57
Temperature: 1.150000
Total energy: -211.870934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.931868 (E_RNA)
where:
Base-Base interactions energy: -149.126
where: short stacking energy: -66.420
Base-Backbone interact. energy: -0.045
local terms energy: -62.760511
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.061 (S_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: 57
Temperature: 1.200000
Total energy: -200.438721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.438721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.472274 (E_RNA)
where:
Base-Base interactions energy: -144.724
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.009
local terms energy: -55.739195
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.034 (S_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: 57
Temperature: 1.250000
Total energy: -206.657920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.864035 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.002
local terms energy: -58.842279
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.206 (S_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: 57
Temperature: 1.300000
Total energy: -176.035263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.035263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.504992 (E_RNA)
where:
Base-Base interactions energy: -125.012
where: short stacking energy: -49.627
Base-Backbone interact. energy: -0.291
local terms energy: -58.202173
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 7.470 (S_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: 57
Temperature: 1.350000
Total energy: -177.885814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.885814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.038011 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.308
local terms energy: -53.963867
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 9.152 (S_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: 58
Temperature: 0.900000
Total energy: -225.539466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.539466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.587642 (E_RNA)
where:
Base-Base interactions energy: -162.662
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.001
local terms energy: -62.924899
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.048 (S_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: 58
Temperature: 0.950000
Total energy: -236.013581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.013581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.167625 (E_RNA)
where:
Base-Base interactions energy: -168.423
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.027
local terms energy: -67.717478
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -226.014317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.014317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.023133 (E_RNA)
where:
Base-Base interactions energy: -165.111
where: short stacking energy: -63.313
Base-Backbone interact. energy: -0.021
local terms energy: -60.891521
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -1.207
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.009 (S_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: 58
Temperature: 1.050000
Total energy: -215.532863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.532863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.535366 (E_RNA)
where:
Base-Base interactions energy: -155.526
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.245
local terms energy: -59.763956
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.003 (S_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: 58
Temperature: 1.100000
Total energy: -205.989098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.989098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.148312 (E_RNA)
where:
Base-Base interactions energy: -139.940
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.015
local terms energy: -66.193399
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.159 (S_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: 58
Temperature: 1.150000
Total energy: -202.902731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.937164 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -58.464
Base-Backbone interact. energy: -0.492
local terms energy: -59.390917
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.034 (S_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: 58
Temperature: 1.200000
Total energy: -202.329698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.368464 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.012
local terms energy: -60.520035
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.039 (S_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: 58
Temperature: 1.250000
Total energy: -196.193203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.193203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.338019 (E_RNA)
where:
Base-Base interactions energy: -138.073
where: short stacking energy: -53.760
Base-Backbone interact. energy: -0.380
local terms energy: -57.885276
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.145 (S_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: -175.410224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.410224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.605995 (E_RNA)
where:
Base-Base interactions energy: -121.174
where: short stacking energy: -53.695
Base-Backbone interact. energy: -1.728
local terms energy: -60.703130
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 8.196 (S_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: 58
Temperature: 1.350000
Total energy: -176.606103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.606103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.557036 (E_RNA)
where:
Base-Base interactions energy: -122.837
where: short stacking energy: -51.439
Base-Backbone interact. energy: -0.161
local terms energy: -61.559273
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 7.951 (S_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: 59
Temperature: 0.900000
Total energy: -227.309259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.309259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.378556 (E_RNA)
where:
Base-Base interactions energy: -166.078
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.001
local terms energy: -61.299967
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.069 (S_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: 59
Temperature: 0.950000
Total energy: -231.541863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.541863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.588865 (E_RNA)
where:
Base-Base interactions energy: -168.111
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.012
local terms energy: -63.465832
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -224.217199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.217199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.217199 (E_RNA)
where:
Base-Base interactions energy: -170.690
where: short stacking energy: -66.244
Base-Backbone interact. energy: -0.284
local terms energy: -53.243312
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -2.235
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -215.009009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013553 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.156
local terms energy: -65.412358
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.005 (S_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: -207.829502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.829502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.954708 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -62.069
Base-Backbone interact. energy: -0.007
local terms energy: -62.374607
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.125 (S_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: -209.087011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.087011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.087011 (E_RNA)
where:
Base-Base interactions energy: -159.719
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.010
local terms energy: -49.358051
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -201.097505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.134559 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.050
local terms energy: -59.644320
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.037 (S_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: -184.966726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.966726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.845497 (E_RNA)
where:
Base-Base interactions energy: -139.733
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.042
local terms energy: -53.070717
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 7.879 (S_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: 59
Temperature: 1.300000
Total energy: -198.877516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.877516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.974235 (E_RNA)
where:
Base-Base interactions energy: -139.832
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.009
local terms energy: -59.133224
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.097 (S_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: 59
Temperature: 1.350000
Total energy: -178.877745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.877745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.725433 (E_RNA)
where:
Base-Base interactions energy: -126.676
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.482
local terms energy: -59.566752
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 7.848 (S_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: 60
Temperature: 0.900000
Total energy: -226.281645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.281645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.320630 (E_RNA)
where:
Base-Base interactions energy: -163.546
where: short stacking energy: -63.212
Base-Backbone interact. energy: -0.136
local terms energy: -62.638295
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.039 (S_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: 60
Temperature: 0.950000
Total energy: -212.096901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.096901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138535 (E_RNA)
where:
Base-Base interactions energy: -148.596
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.175
local terms energy: -63.367810
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -229.181116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.181116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.375684 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.003
local terms energy: -59.494892
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.195 (S_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: 60
Temperature: 1.050000
Total energy: -208.592824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.592824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.595117 (E_RNA)
where:
Base-Base interactions energy: -154.738
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.095
local terms energy: -53.761918
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.002 (S_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: 60
Temperature: 1.100000
Total energy: -210.213401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.213401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.302508 (E_RNA)
where:
Base-Base interactions energy: -148.339
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.247
local terms energy: -61.716563
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -210.050556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.050556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.099232 (E_RNA)
where:
Base-Base interactions energy: -145.890
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.327
local terms energy: -63.881780
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.049 (S_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: 60
Temperature: 1.200000
Total energy: -202.432052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.432052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.986670 (E_RNA)
where:
Base-Base interactions energy: -143.862
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.127
local terms energy: -66.997962
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 8.555 (S_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: 60
Temperature: 1.250000
Total energy: -205.280422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.280422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.428969 (E_RNA)
where:
Base-Base interactions energy: -146.158
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.013
local terms energy: -59.257980
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.149 (S_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: 60
Temperature: 1.300000
Total energy: -203.648740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.812742 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.158
local terms energy: -62.328592
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.164 (S_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: 60
Temperature: 1.350000
Total energy: -182.810755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.810755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.710474 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.001
local terms energy: -45.335362
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -1.808
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 6.900 (S_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: 61
Temperature: 0.900000
Total energy: -233.107876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.107876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.267695 (E_RNA)
where:
Base-Base interactions energy: -166.726
where: short stacking energy: -65.284
Base-Backbone interact. energy: 0.282
local terms energy: -66.823347
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -231.285871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.285871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.291322 (E_RNA)
where:
Base-Base interactions energy: -171.494
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.044
local terms energy: -59.752589
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -225.914253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.914253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.951668 (E_RNA)
where:
Base-Base interactions energy: -159.717
where: short stacking energy: -66.950
Base-Backbone interact. energy: -1.325
local terms energy: -64.909359
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.037 (S_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: 61
Temperature: 1.050000
Total energy: -206.653186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.653186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653186 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.004
local terms energy: -58.004828
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -12.623
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: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -205.772533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.772533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.855336 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.056
local terms energy: -60.638594
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -208.954908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.954908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058290 (E_RNA)
where:
Base-Base interactions energy: -145.735
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.002
local terms energy: -63.320971
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.103 (S_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: 61
Temperature: 1.200000
Total energy: -187.725425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.725425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.339684 (E_RNA)
where:
Base-Base interactions energy: -138.138
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.015
local terms energy: -56.187137
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -7.773
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 6.614 (S_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: 61
Temperature: 1.250000
Total energy: -194.099677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.099677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.212550 (E_RNA)
where:
Base-Base interactions energy: -139.494
where: short stacking energy: -55.293
Base-Backbone interact. energy: -0.122
local terms energy: -54.596070
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -189.878614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.878614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.003761 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.069
local terms energy: -59.722863
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -1.574
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.125 (S_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: 61
Temperature: 1.350000
Total energy: -176.836828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.836828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951170 (E_RNA)
where:
Base-Base interactions energy: -130.332
where: short stacking energy: -54.950
Base-Backbone interact. energy: -0.555
local terms energy: -52.063538
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 6.114 (S_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: 62
Temperature: 0.900000
Total energy: -233.522081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.522081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.522081 (E_RNA)
where:
Base-Base interactions energy: -170.852
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.067
local terms energy: -62.603055
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -2.140
tors. eta vs tors. theta energy: -17.699
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -228.586618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.586618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.610830 (E_RNA)
where:
Base-Base interactions energy: -164.098
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.020
local terms energy: -64.492842
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.024 (S_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: -211.951118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.951118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.960409 (E_RNA)
where:
Base-Base interactions energy: -149.479
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.016
local terms energy: -62.465818
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -211.934166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.934166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.939664 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.024
local terms energy: -65.995473
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.005 (S_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: -201.127111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.127111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.391476 (E_RNA)
where:
Base-Base interactions energy: -139.827
where: short stacking energy: -61.319
Base-Backbone interact. energy: -0.001
local terms energy: -61.563738
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.264 (S_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: -202.619424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.619424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.680070 (E_RNA)
where:
Base-Base interactions energy: -145.325
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.002
local terms energy: -57.353102
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.061 (S_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: 62
Temperature: 1.200000
Total energy: -201.029926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.039977 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.003
local terms energy: -60.213561
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.010 (S_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: 62
Temperature: 1.250000
Total energy: -194.764717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.764717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.196743 (E_RNA)
where:
Base-Base interactions energy: -137.065
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.003
local terms energy: -65.128283
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 7.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -191.436637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.436637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.553695 (E_RNA)
where:
Base-Base interactions energy: -136.029
where: short stacking energy: -51.186
Base-Backbone interact. energy: -0.080
local terms energy: -55.444398
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -176.796019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.796019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.617532 (E_RNA)
where:
Base-Base interactions energy: -127.614
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.962
local terms energy: -55.042069
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -6.809
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 6.822 (S_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: 63
Temperature: 0.900000
Total energy: -235.695782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.695782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.695782 (E_RNA)
where:
Base-Base interactions energy: -175.293
where: short stacking energy: -70.893
Base-Backbone interact. energy: -0.006
local terms energy: -60.396331
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -216.406913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.406913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.406913 (E_RNA)
where:
Base-Base interactions energy: -150.690
where: short stacking energy: -65.804
Base-Backbone interact. energy: -0.192
local terms energy: -65.524984
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -221.671419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.671419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.691382 (E_RNA)
where:
Base-Base interactions energy: -162.171
where: short stacking energy: -60.516
Base-Backbone interact. energy: -0.008
local terms energy: -59.513096
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.020 (S_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: 63
Temperature: 1.050000
Total energy: -212.415624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.415624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561955 (E_RNA)
where:
Base-Base interactions energy: -152.617
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.001
local terms energy: -59.944212
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -205.994744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.994744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.119130 (E_RNA)
where:
Base-Base interactions energy: -143.344
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.000
local terms energy: -62.774994
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.124 (S_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: 63
Temperature: 1.150000
Total energy: -204.645143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.645143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799440 (E_RNA)
where:
Base-Base interactions energy: -140.075
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.003
local terms energy: -64.721186
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.154 (S_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: -201.140182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.140182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.140182 (E_RNA)
where:
Base-Base interactions energy: -141.175
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.002
local terms energy: -59.962803
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -199.131566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.131566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.140526 (E_RNA)
where:
Base-Base interactions energy: -135.611
where: short stacking energy: -53.134
Base-Backbone interact. energy: -0.039
local terms energy: -63.490657
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.009 (S_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: 63
Temperature: 1.300000
Total energy: -174.583704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.583704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.823367 (E_RNA)
where:
Base-Base interactions energy: -120.740
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.084
local terms energy: -63.000151
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 9.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -180.271171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.271171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.891736 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.078
local terms energy: -58.733320
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 9.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -221.374316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.374316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.374316 (E_RNA)
where:
Base-Base interactions energy: -155.317
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.196
local terms energy: -65.861582
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -7.998
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: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -234.939639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.939639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.977374 (E_RNA)
where:
Base-Base interactions energy: -164.636
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.048
local terms energy: -70.293579
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.038 (S_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: 64
Temperature: 1.000000
Total energy: -221.877256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.877256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.910722 (E_RNA)
where:
Base-Base interactions energy: -164.195
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.007
local terms energy: -57.708702
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.033 (S_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: 64
Temperature: 1.050000
Total energy: -206.570150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.570150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.570150 (E_RNA)
where:
Base-Base interactions energy: -141.744
where: short stacking energy: -59.378
Base-Backbone interact. energy: -0.403
local terms energy: -64.423315
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -207.451497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.451497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.451497 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.002
local terms energy: -58.271054
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -13.326
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: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -200.427767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.427767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.625009 (E_RNA)
where:
Base-Base interactions energy: -130.893
where: short stacking energy: -54.781
Base-Backbone interact. energy: -0.039
local terms energy: -69.692553
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.197 (S_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: 64
Temperature: 1.200000
Total energy: -196.736512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.736512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.736512 (E_RNA)
where:
Base-Base interactions energy: -135.393
where: short stacking energy: -50.905
Base-Backbone interact. energy: -0.203
local terms energy: -61.140711
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -192.039035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.039035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.065006 (E_RNA)
where:
Base-Base interactions energy: -130.529
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.026
local terms energy: -61.509896
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.026 (S_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: 64
Temperature: 1.300000
Total energy: -175.688101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.688101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.683648 (E_RNA)
where:
Base-Base interactions energy: -127.279
where: short stacking energy: -49.773
Base-Backbone interact. energy: 0.229
local terms energy: -59.633614
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 10.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -173.056093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.056093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.896009 (E_RNA)
where:
Base-Base interactions energy: -125.550
where: short stacking energy: -53.408
Base-Backbone interact. energy: -0.053
local terms energy: -54.292917
where:
bonds (distance) C4'-P energy: -7.428
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 6.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -223.871441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.871441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.919020 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.005
local terms energy: -70.806906
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.048 (S_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: 65
Temperature: 0.950000
Total energy: -214.792964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858800 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.083
local terms energy: -55.845163
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.066 (S_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: 65
Temperature: 1.000000
Total energy: -212.519862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519862 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.289
local terms energy: -68.689820
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -208.612196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.612196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.664392 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.018
local terms energy: -61.538695
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -213.942012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.942012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.942012 (E_RNA)
where:
Base-Base interactions energy: -146.109
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.000
local terms energy: -67.833017
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -209.972289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.972289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.013558 (E_RNA)
where:
Base-Base interactions energy: -150.975
where: short stacking energy: -66.088
Base-Backbone interact. energy: -0.000
local terms energy: -59.038364
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -196.150216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.150216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.258725 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -54.349
Base-Backbone interact. energy: -0.023
local terms energy: -58.244836
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. 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: -201.116562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.116562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290158 (E_RNA)
where:
Base-Base interactions energy: -142.365
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.032
local terms energy: -58.892926
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.174 (S_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: 65
Temperature: 1.300000
Total energy: -185.059277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.059277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.563260 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -58.768
Base-Backbone interact. energy: -0.024
local terms energy: -60.177379
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 7.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -168.438294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.438294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.896933 (E_RNA)
where:
Base-Base interactions energy: -124.607
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.013
local terms energy: -52.276764
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 8.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -228.768001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.768001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.867927 (E_RNA)
where:
Base-Base interactions energy: -167.910
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.239
local terms energy: -60.718814
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.100 (S_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: 66
Temperature: 0.950000
Total energy: -215.365703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.365703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.394544 (E_RNA)
where:
Base-Base interactions energy: -145.954
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.005
local terms energy: -69.435868
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -217.755122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.755122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.797194 (E_RNA)
where:
Base-Base interactions energy: -151.348
where: short stacking energy: -60.428
Base-Backbone interact. energy: -0.211
local terms energy: -66.237922
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.042 (S_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: 66
Temperature: 1.050000
Total energy: -206.670851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.670851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.795674 (E_RNA)
where:
Base-Base interactions energy: -144.405
where: short stacking energy: -53.654
Base-Backbone interact. energy: 0.017
local terms energy: -62.407465
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -201.793080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.039598 (E_RNA)
where:
Base-Base interactions energy: -139.086
where: short stacking energy: -55.380
Base-Backbone interact. energy: -0.099
local terms energy: -62.854995
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -203.190804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.190804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.306176 (E_RNA)
where:
Base-Base interactions energy: -140.059
where: short stacking energy: -57.899
Base-Backbone interact. energy: 0.125
local terms energy: -63.371754
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -205.324489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.324489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.514231 (E_RNA)
where:
Base-Base interactions energy: -144.270
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.045
local terms energy: -61.199685
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. 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: -199.359638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.359638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.464857 (E_RNA)
where:
Base-Base interactions energy: -134.229
where: short stacking energy: -53.671
Base-Backbone interact. energy: -0.008
local terms energy: -65.227134
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -180.551092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.551092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.491108 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -53.081
Base-Backbone interact. energy: -0.238
local terms energy: -48.303091
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: 1.943
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 6.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -177.179953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.179953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.403041 (E_RNA)
where:
Base-Base interactions energy: -136.971
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.461
local terms energy: -46.971487
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -3.327
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 7.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -222.393937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.393937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.397982 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.007
local terms energy: -63.407919
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -234.078514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.078514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.102064 (E_RNA)
where:
Base-Base interactions energy: -168.775
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.042
local terms energy: -65.285457
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.024 (S_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: 67
Temperature: 1.000000
Total energy: -214.778572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.778572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821867 (E_RNA)
where:
Base-Base interactions energy: -152.637
where: short stacking energy: -60.400
Base-Backbone interact. energy: 0.093
local terms energy: -62.278527
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.043 (S_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: 67
Temperature: 1.050000
Total energy: -211.837955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.837955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837955 (E_RNA)
where:
Base-Base interactions energy: -145.609
where: short stacking energy: -58.842
Base-Backbone interact. energy: -0.122
local terms energy: -66.107081
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -208.073888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.073888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.295707 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.004
local terms energy: -63.733693
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.222 (S_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: 67
Temperature: 1.150000
Total energy: -202.577165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.577165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.807817 (E_RNA)
where:
Base-Base interactions energy: -140.269
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.001
local terms energy: -62.537927
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.231 (S_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: 67
Temperature: 1.200000
Total energy: -207.216055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.216055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.282138 (E_RNA)
where:
Base-Base interactions energy: -144.403
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.000
local terms energy: -62.878941
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -195.372441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.372441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.541278 (E_RNA)
where:
Base-Base interactions energy: -142.921
where: short stacking energy: -60.008
Base-Backbone interact. energy: 0.611
local terms energy: -61.231941
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 8.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -191.395460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.395460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.448156 (E_RNA)
where:
Base-Base interactions energy: -137.981
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.004
local terms energy: -53.462884
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -7.719
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -180.423679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.423679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.985645 (E_RNA)
where:
Base-Base interactions energy: -120.599
where: short stacking energy: -54.426
Base-Backbone interact. energy: -0.599
local terms energy: -64.787374
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 5.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -233.007415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.007415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.040131 (E_RNA)
where:
Base-Base interactions energy: -172.471
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.562
local terms energy: -60.007196
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -219.939273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.939273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.129836 (E_RNA)
where:
Base-Base interactions energy: -160.327
where: short stacking energy: -66.590
Base-Backbone interact. energy: -0.002
local terms energy: -59.801001
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.191 (S_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: 68
Temperature: 1.000000
Total energy: -207.263408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.263408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.263408 (E_RNA)
where:
Base-Base interactions energy: -146.882
where: short stacking energy: -61.493
Base-Backbone interact. energy: 0.472
local terms energy: -60.852977
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -209.557613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.557613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.617478 (E_RNA)
where:
Base-Base interactions energy: -140.640
where: short stacking energy: -59.145
Base-Backbone interact. energy: -0.575
local terms energy: -68.402977
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.060 (S_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: 68
Temperature: 1.100000
Total energy: -204.610755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.610755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701402 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.123
local terms energy: -70.307259
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.091 (S_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: 68
Temperature: 1.150000
Total energy: -205.189318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.241859 (E_RNA)
where:
Base-Base interactions energy: -139.348
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.017
local terms energy: -65.877566
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.053 (S_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: 68
Temperature: 1.200000
Total energy: -183.243633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.581605 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.617
local terms energy: -62.286886
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 6.338 (S_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: 68
Temperature: 1.250000
Total energy: -201.405313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.405313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.467040 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -52.711
Base-Backbone interact. energy: -0.091
local terms energy: -63.363394
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -177.242146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.242146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.622069 (E_RNA)
where:
Base-Base interactions energy: -124.233
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.400
local terms energy: -60.989554
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 8.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -194.055146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.055146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.203048 (E_RNA)
where:
Base-Base interactions energy: -133.406
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.003
local terms energy: -60.793572
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -234.199621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.199621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.199621 (E_RNA)
where:
Base-Base interactions energy: -170.130
where: short stacking energy: -69.699
Base-Backbone interact. energy: -0.490
local terms energy: -63.579345
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -219.590718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.590718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874561 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.575
local terms energy: -66.766007
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -217.356058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.356058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.356058 (E_RNA)
where:
Base-Base interactions energy: -159.016
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.004
local terms energy: -58.336043
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -212.082352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.082352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088145 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -63.642
Base-Backbone interact. energy: -0.238
local terms energy: -62.893308
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.006 (S_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: 69
Temperature: 1.100000
Total energy: -210.587779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.587779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.686962 (E_RNA)
where:
Base-Base interactions energy: -140.654
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.596
local terms energy: -69.437046
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.099 (S_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: 69
Temperature: 1.150000
Total energy: -190.638712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.638712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.478491 (E_RNA)
where:
Base-Base interactions energy: -131.958
where: short stacking energy: -58.361
Base-Backbone interact. energy: -2.121
local terms energy: -64.399157
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 7.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -198.307095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.307095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.428413 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.001
local terms energy: -61.916436
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.121 (S_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: 69
Temperature: 1.250000
Total energy: -203.861910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.861910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.909505 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -60.552
Base-Backbone interact. energy: -0.658
local terms energy: -54.485918
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -187.305481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.305481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.647583 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.234
local terms energy: -57.448777
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 7.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -192.494691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.494691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598371 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -51.008
Base-Backbone interact. energy: -0.184
local terms energy: -58.584923
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.104 (S_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: 70
Temperature: 0.900000
Total energy: -237.874358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.874358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.874358 (E_RNA)
where:
Base-Base interactions energy: -175.584
where: short stacking energy: -74.389
Base-Backbone interact. energy: -0.386
local terms energy: -61.904393
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -4.847
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: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -219.642244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.642244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.668749 (E_RNA)
where:
Base-Base interactions energy: -157.067
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.002
local terms energy: -62.600006
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.027 (S_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: 70
Temperature: 1.000000
Total energy: -217.764283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.764283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.823969 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.002
local terms energy: -65.767760
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.060 (S_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: 70
Temperature: 1.050000
Total energy: -209.949016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.949016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.056675 (E_RNA)
where:
Base-Base interactions energy: -147.594
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.004
local terms energy: -62.459191
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -185.210570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.210570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.633774 (E_RNA)
where:
Base-Base interactions energy: -133.930
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.195
local terms energy: -58.508725
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 7.423 (S_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: 70
Temperature: 1.150000
Total energy: -215.411536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.411536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.452189 (E_RNA)
where:
Base-Base interactions energy: -156.085
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.740
local terms energy: -58.627122
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.041 (S_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: 70
Temperature: 1.200000
Total energy: -204.152681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.152681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152681 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.009
local terms energy: -60.699025
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -9.468
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -10.614
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: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -203.424402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.455349 (E_RNA)
where:
Base-Base interactions energy: -140.774
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.000
local terms energy: -62.680788
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -196.731052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.866580 (E_RNA)
where:
Base-Base interactions energy: -137.999
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.095
local terms energy: -58.772835
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -170.184826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.184826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.802223 (E_RNA)
where:
Base-Base interactions energy: -123.007
where: short stacking energy: -57.149
Base-Backbone interact. energy: 0.937
local terms energy: -55.732320
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 7.617 (S_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: 71
Temperature: 0.900000
Total energy: -233.166192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.166192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.193054 (E_RNA)
where:
Base-Base interactions energy: -172.807
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.006
local terms energy: -60.379963
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.027 (S_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: 71
Temperature: 0.950000
Total energy: -224.395711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.395711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.484153 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.242
local terms energy: -61.789350
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.088 (S_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: 71
Temperature: 1.000000
Total energy: -214.546318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.546318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.617376 (E_RNA)
where:
Base-Base interactions energy: -148.534
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.001
local terms energy: -66.082445
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.071 (S_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: 71
Temperature: 1.050000
Total energy: -207.869146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.869146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.869146 (E_RNA)
where:
Base-Base interactions energy: -144.762
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.091
local terms energy: -63.015990
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -13.264
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: 71
Temperature: 1.100000
Total energy: -203.130848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.130848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.197974 (E_RNA)
where:
Base-Base interactions energy: -142.488
where: short stacking energy: -62.290
Base-Backbone interact. energy: -1.042
local terms energy: -66.668328
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 7.067 (S_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: 71
Temperature: 1.150000
Total energy: -206.918712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.918712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.918712 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.088
local terms energy: -62.235711
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -212.182148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.182148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356871 (E_RNA)
where:
Base-Base interactions energy: -161.533
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.006
local terms energy: -50.817724
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -201.324716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.324716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384833 (E_RNA)
where:
Base-Base interactions energy: -140.362
where: short stacking energy: -53.034
Base-Backbone interact. energy: -0.044
local terms energy: -60.978615
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -197.920499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.920499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.116169 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.016
local terms energy: -52.976916
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -180.940341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.940341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.319587 (E_RNA)
where:
Base-Base interactions energy: -127.527
where: short stacking energy: -60.274
Base-Backbone interact. energy: 0.001
local terms energy: -61.793394
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 8.379 (S_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: -236.922912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.922912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.199947 (E_RNA)
where:
Base-Base interactions energy: -171.622
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.009
local terms energy: -65.569044
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.277 (S_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: 72
Temperature: 0.950000
Total energy: -227.437763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.437763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.453718 (E_RNA)
where:
Base-Base interactions energy: -164.917
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.000
local terms energy: -62.536780
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -221.554905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.554905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.707130 (E_RNA)
where:
Base-Base interactions energy: -167.078
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.005
local terms energy: -54.624148
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.152 (S_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: 72
Temperature: 1.050000
Total energy: -208.122197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.122197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474748 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.124
local terms energy: -62.182444
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.353 (S_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: 72
Temperature: 1.100000
Total energy: -206.971934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.971934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.061883 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.238
local terms energy: -64.457847
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.090 (S_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: 72
Temperature: 1.150000
Total energy: -192.765033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.765033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.761625 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.480
local terms energy: -61.118974
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 7.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -200.426510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.426510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.724515 (E_RNA)
where:
Base-Base interactions energy: -145.357
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.080
local terms energy: -55.287105
where:
bonds (distance) C4'-P energy: -7.012
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -194.989639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.989639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.989639 (E_RNA)
where:
Base-Base interactions energy: -139.057
where: short stacking energy: -54.640
Base-Backbone interact. energy: -0.423
local terms energy: -55.509546
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -202.446232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.446232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.446232 (E_RNA)
where:
Base-Base interactions energy: -152.824
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.028
local terms energy: -49.594356
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -181.122858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.122858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.487815 (E_RNA)
where:
Base-Base interactions energy: -133.228
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.211
local terms energy: -55.048542
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -5.223
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 7.365 (S_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: -233.907040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.907040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.947876 (E_RNA)
where:
Base-Base interactions energy: -170.937
where: short stacking energy: -69.957
Base-Backbone interact. energy: -0.001
local terms energy: -63.010335
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -236.307483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.307483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.486261 (E_RNA)
where:
Base-Base interactions energy: -172.502
where: short stacking energy: -69.018
Base-Backbone interact. energy: -0.001
local terms energy: -63.983121
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.179 (S_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: 73
Temperature: 1.000000
Total energy: -216.372541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.372541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.372541 (E_RNA)
where:
Base-Base interactions energy: -148.895
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.000
local terms energy: -67.477148
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -214.137724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.137724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.163748 (E_RNA)
where:
Base-Base interactions energy: -152.725
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.090
local terms energy: -61.348128
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -212.767379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.767379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.846988 (E_RNA)
where:
Base-Base interactions energy: -151.134
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.004
local terms energy: -61.709045
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -1.421
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.080 (S_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: 73
Temperature: 1.150000
Total energy: -208.011886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046195 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.042
local terms energy: -60.369456
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.034 (S_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: 73
Temperature: 1.200000
Total energy: -187.679593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.679593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.583552 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -56.567
Base-Backbone interact. energy: -1.012
local terms energy: -62.961873
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 6.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -198.218072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.218072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.290250 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -57.107
Base-Backbone interact. energy: 1.307
local terms energy: -56.925370
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -190.941082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.941082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.143576 (E_RNA)
where:
Base-Base interactions energy: -131.909
where: short stacking energy: -55.737
Base-Backbone interact. energy: -0.712
local terms energy: -58.522876
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -7.483
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -182.431767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.431767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.627409 (E_RNA)
where:
Base-Base interactions energy: -128.140
where: short stacking energy: -54.607
Base-Backbone interact. energy: -0.920
local terms energy: -62.567368
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 9.196 (S_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: 74
Temperature: 0.900000
Total energy: -231.772627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.772627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.837551 (E_RNA)
where:
Base-Base interactions energy: -169.439
where: short stacking energy: -67.021
Base-Backbone interact. energy: -0.593
local terms energy: -61.805587
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -221.692252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789450 (E_RNA)
where:
Base-Base interactions energy: -153.368
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.004
local terms energy: -68.417012
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.097 (S_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: 74
Temperature: 1.000000
Total energy: -228.892512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.892512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.945192 (E_RNA)
where:
Base-Base interactions energy: -166.469
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.003
local terms energy: -62.472757
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.053 (S_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: 74
Temperature: 1.050000
Total energy: -213.171122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.171122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.213159 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.482
local terms energy: -58.457316
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.042 (S_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: 74
Temperature: 1.100000
Total energy: -206.963846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.963846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.971177 (E_RNA)
where:
Base-Base interactions energy: -142.374
where: short stacking energy: -57.806
Base-Backbone interact. energy: -0.093
local terms energy: -64.504083
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -205.299776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.305348 (E_RNA)
where:
Base-Base interactions energy: -145.384
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.078
local terms energy: -59.843749
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -196.798241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.798241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.838773 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -49.951
Base-Backbone interact. energy: -2.985
local terms energy: -58.312896
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -185.068550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.068550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.504024 (E_RNA)
where:
Base-Base interactions energy: -129.249
where: short stacking energy: -58.959
Base-Backbone interact. energy: -1.361
local terms energy: -61.894491
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -8.497
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 7.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -186.826717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.826717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.976619 (E_RNA)
where:
Base-Base interactions energy: -144.943
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.001
local terms energy: -50.033283
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 8.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -186.807950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.807950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.320398 (E_RNA)
where:
Base-Base interactions energy: -131.074
where: short stacking energy: -49.298
Base-Backbone interact. energy: -0.031
local terms energy: -56.214659
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.512 (S_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: 75
Temperature: 0.900000
Total energy: -228.502611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.502611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.570292 (E_RNA)
where:
Base-Base interactions energy: -168.747
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.082
local terms energy: -59.741286
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.068 (S_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: 75
Temperature: 0.950000
Total energy: -218.891271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.891271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.891271 (E_RNA)
where:
Base-Base interactions energy: -161.358
where: short stacking energy: -63.707
Base-Backbone interact. energy: -0.011
local terms energy: -57.522976
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -213.793316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.793316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847486 (E_RNA)
where:
Base-Base interactions energy: -151.975
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.043
local terms energy: -61.829146
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.054 (S_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: 75
Temperature: 1.050000
Total energy: -217.885439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.885439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.886434 (E_RNA)
where:
Base-Base interactions energy: -147.866
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.416
local terms energy: -69.604863
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.001 (S_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: 75
Temperature: 1.100000
Total energy: -209.789930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.789930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810950 (E_RNA)
where:
Base-Base interactions energy: -145.494
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.240
local terms energy: -64.077394
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -206.574313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.574313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.623900 (E_RNA)
where:
Base-Base interactions energy: -138.451
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.255
local terms energy: -67.917757
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -199.279941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.279941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.605180 (E_RNA)
where:
Base-Base interactions energy: -138.298
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.486
local terms energy: -60.820707
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -179.442524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.442524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.864567 (E_RNA)
where:
Base-Base interactions energy: -125.112
where: short stacking energy: -47.961
Base-Backbone interact. energy: 0.123
local terms energy: -61.875677
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 7.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -179.231403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.231403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.073774 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.344
local terms energy: -51.667905
where:
bonds (distance) C4'-P energy: -5.969
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 7.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -185.719870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.719870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.840514 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -51.926
Base-Backbone interact. energy: -0.723
local terms energy: -49.283697
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.121 (S_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: 76
Temperature: 0.900000
Total energy: -231.679046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.679046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.706786 (E_RNA)
where:
Base-Base interactions energy: -169.094
where: short stacking energy: -67.955
Base-Backbone interact. energy: -0.044
local terms energy: -62.569206
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.028 (S_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: 76
Temperature: 0.950000
Total energy: -215.707223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.707223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.724052 (E_RNA)
where:
Base-Base interactions energy: -150.957
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.003
local terms energy: -64.764179
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -217.671088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.671088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.685663 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -63.470
Base-Backbone interact. energy: -0.072
local terms energy: -63.478733
where:
bonds (distance) C4'-P energy: -6.492
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.015 (S_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: 76
Temperature: 1.050000
Total energy: -208.700803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.700803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.752912 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -61.247
Base-Backbone interact. energy: -0.001
local terms energy: -61.785524
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -210.327787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327787 (E_RNA)
where:
Base-Base interactions energy: -145.670
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.002
local terms energy: -64.655770
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -15.030
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: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -197.405614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.405614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.468685 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.088
local terms energy: -59.670903
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -199.437438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.437438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.723146 (E_RNA)
where:
Base-Base interactions energy: -144.439
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.012
local terms energy: -55.272122
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -187.386591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.386591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.826154 (E_RNA)
where:
Base-Base interactions energy: -137.087
where: short stacking energy: -57.684
Base-Backbone interact. energy: -0.020
local terms energy: -57.719211
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 7.440 (S_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: 76
Temperature: 1.300000
Total energy: -187.039874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.039874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.491257 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.605
local terms energy: -55.489761
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 7.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -188.215993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.215993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.249080 (E_RNA)
where:
Base-Base interactions energy: -137.568
where: short stacking energy: -51.426
Base-Backbone interact. energy: -0.016
local terms energy: -50.665339
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.033 (S_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: 77
Temperature: 0.900000
Total energy: -220.290244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.308111 (E_RNA)
where:
Base-Base interactions energy: -150.193
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.001
local terms energy: -70.114317
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -226.548251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.548251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.567840 (E_RNA)
where:
Base-Base interactions energy: -160.463
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.040
local terms energy: -66.065337
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.020 (S_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: 77
Temperature: 1.000000
Total energy: -221.483906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.483906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.505875 (E_RNA)
where:
Base-Base interactions energy: -148.159
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.001
local terms energy: -73.346497
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.022 (S_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: 77
Temperature: 1.050000
Total energy: -223.156313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.156313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.164967 (E_RNA)
where:
Base-Base interactions energy: -161.429
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.019
local terms energy: -61.716930
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -198.094975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.094975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.103770 (E_RNA)
where:
Base-Base interactions energy: -139.959
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.315
local terms energy: -57.829227
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. 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: -205.700244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.700244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.700244 (E_RNA)
where:
Base-Base interactions energy: -145.286
where: short stacking energy: -60.169
Base-Backbone interact. energy: -0.321
local terms energy: -60.093203
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -14.456
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: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -202.223222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.223222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.248661 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.289
local terms energy: -58.924138
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.025 (S_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: 77
Temperature: 1.250000
Total energy: -184.390914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.674427 (E_RNA)
where:
Base-Base interactions energy: -130.250
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.571
local terms energy: -60.853549
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 7.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -187.630784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.593225 (E_RNA)
where:
Base-Base interactions energy: -137.797
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.948
local terms energy: -56.848539
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 7.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -205.943689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.943689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.094352 (E_RNA)
where:
Base-Base interactions energy: -149.081
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.377
local terms energy: -56.636128
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.151 (S_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: 78
Temperature: 0.900000
Total energy: -224.910715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.910715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.912863 (E_RNA)
where:
Base-Base interactions energy: -156.963
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.156
local terms energy: -67.794083
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -231.550182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.550182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.550182 (E_RNA)
where:
Base-Base interactions energy: -173.838
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.472
local terms energy: -57.240032
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -215.607780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.607780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.651967 (E_RNA)
where:
Base-Base interactions energy: -145.438
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.001
local terms energy: -70.213507
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.044 (S_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: 78
Temperature: 1.050000
Total energy: -209.632295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.783170 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.063
local terms energy: -52.935521
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -2.374
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.151 (S_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: 78
Temperature: 1.100000
Total energy: -209.599618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.599618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.599618 (E_RNA)
where:
Base-Base interactions energy: -143.857
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.003
local terms energy: -65.740380
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -208.790991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.790991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.809224 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.063
local terms energy: -64.645097
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.018 (S_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: 78
Temperature: 1.200000
Total energy: -197.845027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.845027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.474471 (E_RNA)
where:
Base-Base interactions energy: -146.178
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.002
local terms energy: -59.294268
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 7.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -203.032060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.032060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.070145 (E_RNA)
where:
Base-Base interactions energy: -144.574
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.000
local terms energy: -58.496365
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -194.194682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.194682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.384057 (E_RNA)
where:
Base-Base interactions energy: -143.913
where: short stacking energy: -52.504
Base-Backbone interact. energy: 1.694
local terms energy: -52.164701
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -171.435561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.435561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.454963 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.017
local terms energy: -54.304083
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 7.019 (S_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: 79
Temperature: 0.900000
Total energy: -224.638171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.638171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.689469 (E_RNA)
where:
Base-Base interactions energy: -153.869
where: short stacking energy: -67.167
Base-Backbone interact. energy: -0.001
local terms energy: -70.819116
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.051 (S_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: 79
Temperature: 0.950000
Total energy: -217.348244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.348244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.348244 (E_RNA)
where:
Base-Base interactions energy: -153.109
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.100
local terms energy: -64.138560
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -15.611
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: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -224.863280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.863280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.887888 (E_RNA)
where:
Base-Base interactions energy: -166.042
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.198
local terms energy: -58.648028
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.025 (S_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: 79
Temperature: 1.050000
Total energy: -207.468881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.468881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.480995 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -51.334
Base-Backbone interact. energy: 0.001
local terms energy: -67.648807
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.012 (S_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: 79
Temperature: 1.100000
Total energy: -205.045543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.045543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.076040 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -54.535
Base-Backbone interact. energy: 0.558
local terms energy: -64.345050
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.030 (S_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: 79
Temperature: 1.150000
Total energy: -193.848124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.848124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.124441 (E_RNA)
where:
Base-Base interactions energy: -142.702
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.010
local terms energy: -57.411888
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 6.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -202.492308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.492308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.492308 (E_RNA)
where:
Base-Base interactions energy: -141.248
where: short stacking energy: -53.765
Base-Backbone interact. energy: -0.106
local terms energy: -61.137884
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -12.379
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: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -205.015620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.015620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.049025 (E_RNA)
where:
Base-Base interactions energy: -144.123
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.296
local terms energy: -60.630257
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.033 (S_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: 79
Temperature: 1.300000
Total energy: -204.577864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.615454 (E_RNA)
where:
Base-Base interactions energy: -143.362
where: short stacking energy: -51.625
Base-Backbone interact. energy: -0.041
local terms energy: -61.212039
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -171.402213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.402213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.547420 (E_RNA)
where:
Base-Base interactions energy: -122.991
where: short stacking energy: -47.551
Base-Backbone interact. energy: -0.044
local terms energy: -55.513106
where:
bonds (distance) C4'-P energy: -7.378
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 7.145 (S_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: 80
Temperature: 0.900000
Total energy: -220.030975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.030975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.089913 (E_RNA)
where:
Base-Base interactions energy: -156.795
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.157
local terms energy: -63.137473
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.059 (S_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: 80
Temperature: 0.950000
Total energy: -217.678725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.678725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.705064 (E_RNA)
where:
Base-Base interactions energy: -153.470
where: short stacking energy: -57.166
Base-Backbone interact. energy: -0.002
local terms energy: -64.233370
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -217.652448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.652448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.663188 (E_RNA)
where:
Base-Base interactions energy: -146.490
where: short stacking energy: -59.904
Base-Backbone interact. energy: -0.007
local terms energy: -71.165964
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.011 (S_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: 80
Temperature: 1.050000
Total energy: -210.897381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.154847 (E_RNA)
where:
Base-Base interactions energy: -145.718
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.474
local terms energy: -64.963004
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.257 (S_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: 80
Temperature: 1.100000
Total energy: -204.508665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.508665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.529729 (E_RNA)
where:
Base-Base interactions energy: -147.785
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.100
local terms energy: -56.644744
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -194.021194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.021194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281135 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -59.658
Base-Backbone interact. energy: -0.055
local terms energy: -63.024192
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 8.260 (S_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: 80
Temperature: 1.200000
Total energy: -199.595462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.595462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.817867 (E_RNA)
where:
Base-Base interactions energy: -135.041
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.025
local terms energy: -64.752057
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -190.977266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.977266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.997804 (E_RNA)
where:
Base-Base interactions energy: -142.841
where: short stacking energy: -57.121
Base-Backbone interact. energy: 1.070
local terms energy: -49.225948
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -169.715617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.824052 (E_RNA)
where:
Base-Base interactions energy: -123.710
where: short stacking energy: -54.078
Base-Backbone interact. energy: -0.014
local terms energy: -54.100699
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 8.108 (S_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: 80
Temperature: 1.350000
Total energy: -194.060191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.060191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.066194 (E_RNA)
where:
Base-Base interactions energy: -141.712
where: short stacking energy: -54.477
Base-Backbone interact. energy: -0.596
local terms energy: -51.757743
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.006 (S_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: 81
Temperature: 0.900000
Total energy: -235.229952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.229952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.409380 (E_RNA)
where:
Base-Base interactions energy: -169.424
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.281
local terms energy: -65.704371
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -217.306153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.306153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.347502 (E_RNA)
where:
Base-Base interactions energy: -150.560
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.035
local terms energy: -66.751916
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -218.345115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.345115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.388284 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -61.786
Base-Backbone interact. energy: -0.291
local terms energy: -67.781381
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.043 (S_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: 81
Temperature: 1.050000
Total energy: -210.698822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.698822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.796931 (E_RNA)
where:
Base-Base interactions energy: -154.086
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.306
local terms energy: -56.405157
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.098 (S_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: 81
Temperature: 1.100000
Total energy: -203.520738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.520738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778378 (E_RNA)
where:
Base-Base interactions energy: -144.644
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.820
local terms energy: -58.314062
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.258 (S_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: 81
Temperature: 1.150000
Total energy: -211.840120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.840120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.854375 (E_RNA)
where:
Base-Base interactions energy: -156.014
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.009
local terms energy: -55.831756
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -179.550707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.550707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.164398 (E_RNA)
where:
Base-Base interactions energy: -128.428
where: short stacking energy: -50.834
Base-Backbone interact. energy: -0.578
local terms energy: -58.158391
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 7.614 (S_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: 81
Temperature: 1.250000
Total energy: -173.646064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.646064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.559654 (E_RNA)
where:
Base-Base interactions energy: -116.980
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.266
local terms energy: -63.314387
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 6.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -192.082795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.082795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.094046 (E_RNA)
where:
Base-Base interactions energy: -142.781
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.041
local terms energy: -49.271783
where:
bonds (distance) C4'-P energy: -4.649
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.011 (S_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: 81
Temperature: 1.350000
Total energy: -192.948850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.036655 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.500
local terms energy: -56.309365
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -220.268660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.285050 (E_RNA)
where:
Base-Base interactions energy: -157.480
where: short stacking energy: -64.950
Base-Backbone interact. energy: -0.000
local terms energy: -62.804470
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.016 (S_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: 82
Temperature: 0.950000
Total energy: -229.374918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.374918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.414705 (E_RNA)
where:
Base-Base interactions energy: -169.692
where: short stacking energy: -72.198
Base-Backbone interact. energy: -0.015
local terms energy: -59.707931
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.040 (S_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: 82
Temperature: 1.000000
Total energy: -213.610899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.610899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.613473 (E_RNA)
where:
Base-Base interactions energy: -148.450
where: short stacking energy: -58.758
Base-Backbone interact. energy: -0.867
local terms energy: -64.297083
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -208.899671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.899671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.902717 (E_RNA)
where:
Base-Base interactions energy: -150.153
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.024
local terms energy: -58.725595
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.003 (S_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: 82
Temperature: 1.100000
Total energy: -210.094936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.094936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.185805 (E_RNA)
where:
Base-Base interactions energy: -146.469
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.015
local terms energy: -63.702068
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -205.673255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.673255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.781965 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -62.574
Base-Backbone interact. energy: 0.056
local terms energy: -60.647255
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.109 (S_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: 82
Temperature: 1.200000
Total energy: -182.271118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.371441 (E_RNA)
where:
Base-Base interactions energy: -129.355
where: short stacking energy: -49.723
Base-Backbone interact. energy: -0.004
local terms energy: -60.012723
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 7.100 (S_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: 82
Temperature: 1.250000
Total energy: -187.342642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.342642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.473471 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.144
local terms energy: -58.337328
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 8.131 (S_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: 82
Temperature: 1.300000
Total energy: -205.893249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.893249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.943457 (E_RNA)
where:
Base-Base interactions energy: -137.686
where: short stacking energy: -52.531
Base-Backbone interact. energy: -0.663
local terms energy: -67.594895
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -199.949085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.949085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.949085 (E_RNA)
where:
Base-Base interactions energy: -134.305
where: short stacking energy: -52.092
Base-Backbone interact. energy: -0.140
local terms energy: -65.503894
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -11.480
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: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -234.446375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.446375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.446375 (E_RNA)
where:
Base-Base interactions energy: -167.974
where: short stacking energy: -68.520
Base-Backbone interact. energy: -0.001
local terms energy: -66.470826
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -7.571
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -226.033834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.033834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.049312 (E_RNA)
where:
Base-Base interactions energy: -166.031
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.114
local terms energy: -59.904157
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.015 (S_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: 83
Temperature: 1.000000
Total energy: -223.157278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.157278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.159659 (E_RNA)
where:
Base-Base interactions energy: -161.777
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.246
local terms energy: -61.136982
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.002 (S_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: 83
Temperature: 1.050000
Total energy: -208.829562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.829562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938161 (E_RNA)
where:
Base-Base interactions energy: -145.327
where: short stacking energy: -63.263
Base-Backbone interact. energy: -0.000
local terms energy: -63.610639
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.109 (S_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: 83
Temperature: 1.100000
Total energy: -206.729787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.729787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.851373 (E_RNA)
where:
Base-Base interactions energy: -145.713
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.002
local terms energy: -61.137174
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.122 (S_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: 83
Temperature: 1.150000
Total energy: -192.296453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.371513 (E_RNA)
where:
Base-Base interactions energy: -135.786
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.035
local terms energy: -64.550169
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 8.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -215.635071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.635071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.666192 (E_RNA)
where:
Base-Base interactions energy: -153.720
where: short stacking energy: -62.367
Base-Backbone interact. energy: -0.089
local terms energy: -61.856927
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.031 (S_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: 83
Temperature: 1.250000
Total energy: -192.551049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.588152 (E_RNA)
where:
Base-Base interactions energy: -139.757
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.002
local terms energy: -52.829428
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.037 (S_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: 83
Temperature: 1.300000
Total energy: -179.477202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.477202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.333404 (E_RNA)
where:
Base-Base interactions energy: -133.875
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.062
local terms energy: -52.396015
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 6.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -195.776501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.776501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.888380 (E_RNA)
where:
Base-Base interactions energy: -140.883
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.121
local terms energy: -54.884824
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.112 (S_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: 84
Temperature: 0.900000
Total energy: -238.306086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.306086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.328573 (E_RNA)
where:
Base-Base interactions energy: -174.678
where: short stacking energy: -71.773
Base-Backbone interact. energy: -0.203
local terms energy: -63.447554
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -213.718588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.718588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.718588 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.026
local terms energy: -63.473194
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -5.740
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: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -211.472765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.472765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.508025 (E_RNA)
where:
Base-Base interactions energy: -145.298
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.131
local terms energy: -66.078818
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.035 (S_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: 84
Temperature: 1.050000
Total energy: -211.478474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.565698 (E_RNA)
where:
Base-Base interactions energy: -154.452
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.010
local terms energy: -57.103742
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.087 (S_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: 84
Temperature: 1.100000
Total energy: -204.083815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.083815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.090267 (E_RNA)
where:
Base-Base interactions energy: -141.068
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.518
local terms energy: -62.504274
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -188.146065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.146065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.474831 (E_RNA)
where:
Base-Base interactions energy: -135.713
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.341
local terms energy: -59.420790
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 7.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -198.991470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125607 (E_RNA)
where:
Base-Base interactions energy: -139.406
where: short stacking energy: -58.764
Base-Backbone interact. energy: 0.435
local terms energy: -60.155029
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -197.006304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.006304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.132843 (E_RNA)
where:
Base-Base interactions energy: -144.123
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.031
local terms energy: -52.979077
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -188.829449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.829449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.996410 (E_RNA)
where:
Base-Base interactions energy: -131.972
where: short stacking energy: -50.000
Base-Backbone interact. energy: 0.324
local terms energy: -57.347963
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.167 (S_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: 84
Temperature: 1.350000
Total energy: -172.092371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.092371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.925333 (E_RNA)
where:
Base-Base interactions energy: -120.959
where: short stacking energy: -49.686
Base-Backbone interact. energy: -1.840
local terms energy: -57.126161
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 7.833 (S_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: 85
Temperature: 0.900000
Total energy: -235.102496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.102496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.165351 (E_RNA)
where:
Base-Base interactions energy: -173.137
where: short stacking energy: -73.045
Base-Backbone interact. energy: -0.026
local terms energy: -62.003014
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.063 (S_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: -231.387375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.387375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.494169 (E_RNA)
where:
Base-Base interactions energy: -171.797
where: short stacking energy: -67.997
Base-Backbone interact. energy: -0.003
local terms energy: -59.694377
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -9.086
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -210.889814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.889814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.907552 (E_RNA)
where:
Base-Base interactions energy: -144.251
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.009
local terms energy: -66.647340
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -212.090021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.090021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.206399 (E_RNA)
where:
Base-Base interactions energy: -151.539
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.000
local terms energy: -60.667374
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -209.409909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.409909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.483907 (E_RNA)
where:
Base-Base interactions energy: -142.730
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.017
local terms energy: -66.737797
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -207.680026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.680026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059974 (E_RNA)
where:
Base-Base interactions energy: -145.232
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.014
local terms energy: -62.814302
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.380 (S_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: 85
Temperature: 1.200000
Total energy: -202.020859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.020859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.648268 (E_RNA)
where:
Base-Base interactions energy: -147.962
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.006
local terms energy: -61.680930
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 7.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -205.988810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.988810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.002057 (E_RNA)
where:
Base-Base interactions energy: -144.043
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.622
local terms energy: -61.337301
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -194.490833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.490833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.727784 (E_RNA)
where:
Base-Base interactions energy: -138.938
where: short stacking energy: -52.123
Base-Backbone interact. energy: 0.891
local terms energy: -56.680504
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.237 (S_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: 85
Temperature: 1.350000
Total energy: -181.978217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.978217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.423922 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.001
local terms energy: -57.046237
where:
bonds (distance) C4'-P energy: -3.577
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 7.446 (S_DIST_RNA)
chem. 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: -232.193620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.193620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.232058 (E_RNA)
where:
Base-Base interactions energy: -170.091
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.001
local terms energy: -62.139907
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.038 (S_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: 86
Temperature: 0.950000
Total energy: -230.367965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.367965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.387478 (E_RNA)
where:
Base-Base interactions energy: -171.614
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.281
local terms energy: -58.493038
where:
bonds (distance) C4'-P energy: -8.596
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -219.779588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.779588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.982735 (E_RNA)
where:
Base-Base interactions energy: -148.943
where: short stacking energy: -66.153
Base-Backbone interact. energy: -0.156
local terms energy: -70.883185
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.203 (S_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: 86
Temperature: 1.050000
Total energy: -221.725305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.725305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.755714 (E_RNA)
where:
Base-Base interactions energy: -160.833
where: short stacking energy: -63.712
Base-Backbone interact. energy: -0.000
local terms energy: -60.922928
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -206.714646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.714646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.714646 (E_RNA)
where:
Base-Base interactions energy: -142.537
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.112
local terms energy: -64.066528
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -214.431700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.431700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.496581 (E_RNA)
where:
Base-Base interactions energy: -156.683
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.599
local terms energy: -57.214252
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -201.355902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.576098 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.000
local terms energy: -60.941702
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -188.343070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.343070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.789382 (E_RNA)
where:
Base-Base interactions energy: -139.385
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.102
local terms energy: -56.301898
where:
bonds (distance) C4'-P energy: -5.790
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 7.446 (S_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: 86
Temperature: 1.300000
Total energy: -180.613139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.613139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247886 (E_RNA)
where:
Base-Base interactions energy: -130.050
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.506
local terms energy: -56.691084
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -7.915
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 6.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -192.428308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.428308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.428308 (E_RNA)
where:
Base-Base interactions energy: -129.834
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.129
local terms energy: -62.465922
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -13.718
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: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -219.249636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.249636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.392266 (E_RNA)
where:
Base-Base interactions energy: -150.868
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.010
local terms energy: -68.514146
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.143 (S_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: 87
Temperature: 0.950000
Total energy: -228.977094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.977094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.977094 (E_RNA)
where:
Base-Base interactions energy: -166.608
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.026
local terms energy: -62.343332
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -219.586816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.717742 (E_RNA)
where:
Base-Base interactions energy: -159.089
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.095
local terms energy: -60.533500
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.131 (S_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: 87
Temperature: 1.050000
Total energy: -216.372812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.372812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.497956 (E_RNA)
where:
Base-Base interactions energy: -150.673
where: short stacking energy: -64.835
Base-Backbone interact. energy: -0.001
local terms energy: -65.823958
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.125 (S_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: -210.039277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.039277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.066382 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.000
local terms energy: -67.696917
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.027 (S_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: 87
Temperature: 1.150000
Total energy: -205.965899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.965899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.995931 (E_RNA)
where:
Base-Base interactions energy: -148.253
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.083
local terms energy: -57.659779
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -199.773395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.773395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867610 (E_RNA)
where:
Base-Base interactions energy: -139.330
where: short stacking energy: -56.570
Base-Backbone interact. energy: -0.122
local terms energy: -60.415860
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.094 (S_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: 87
Temperature: 1.250000
Total energy: -184.488649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.488649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.034076 (E_RNA)
where:
Base-Base interactions energy: -133.128
where: short stacking energy: -57.031
Base-Backbone interact. energy: -1.041
local terms energy: -57.865482
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 7.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -173.544714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.544714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.074548 (E_RNA)
where:
Base-Base interactions energy: -124.958
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.488
local terms energy: -55.628356
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 7.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -195.988717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.988717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.049303 (E_RNA)
where:
Base-Base interactions energy: -139.557
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.262
local terms energy: -56.230105
where:
bonds (distance) C4'-P energy: -6.766
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.061 (S_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: 88
Temperature: 0.900000
Total energy: -231.972610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.972610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.001554 (E_RNA)
where:
Base-Base interactions energy: -170.867
where: short stacking energy: -70.634
Base-Backbone interact. energy: -0.002
local terms energy: -61.132475
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.029 (S_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: -225.020341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.020341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.089892 (E_RNA)
where:
Base-Base interactions energy: -164.753
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.000
local terms energy: -60.336810
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -219.643532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.643532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.733254 (E_RNA)
where:
Base-Base interactions energy: -152.479
where: short stacking energy: -65.382
Base-Backbone interact. energy: -0.001
local terms energy: -67.253435
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. 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: -221.415174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.415174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.471325 (E_RNA)
where:
Base-Base interactions energy: -164.479
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.003
local terms energy: -56.988848
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -0.440
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -206.752169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.752169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.752169 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.004
local terms energy: -60.415143
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -196.320921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.320921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.320921 (E_RNA)
where:
Base-Base interactions energy: -143.719
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.239
local terms energy: -52.362918
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -8.633
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -12.188
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: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -199.393933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.393933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.450653 (E_RNA)
where:
Base-Base interactions energy: -145.762
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.124
local terms energy: -53.564644
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.057 (S_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: -178.116490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.116490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.385892 (E_RNA)
where:
Base-Base interactions energy: -131.320
where: short stacking energy: -55.624
Base-Backbone interact. energy: -0.033
local terms energy: -54.032879
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 7.269 (S_DIST_RNA)
chem. 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: -198.327929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.327929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432283 (E_RNA)
where:
Base-Base interactions energy: -133.475
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.622
local terms energy: -64.335118
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -174.056928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.056928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.503799 (E_RNA)
where:
Base-Base interactions energy: -127.794
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.529
local terms energy: -53.181074
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 7.447 (S_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: 89
Temperature: 0.900000
Total energy: -235.254679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.254679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.274380 (E_RNA)
where:
Base-Base interactions energy: -170.020
where: short stacking energy: -65.532
Base-Backbone interact. energy: -0.004
local terms energy: -65.250203
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -221.921882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.921882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.933725 (E_RNA)
where:
Base-Base interactions energy: -152.824
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.575
local terms energy: -68.535324
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.012 (S_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: 89
Temperature: 1.000000
Total energy: -220.472183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.472183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.532014 (E_RNA)
where:
Base-Base interactions energy: -162.788
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.041
local terms energy: -57.702970
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -209.883715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.883715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.932004 (E_RNA)
where:
Base-Base interactions energy: -153.425
where: short stacking energy: -55.035
Base-Backbone interact. energy: -0.033
local terms energy: -56.473826
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.048 (S_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: -207.231464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.284403 (E_RNA)
where:
Base-Base interactions energy: -146.940
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.048
local terms energy: -60.296754
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -202.816932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.816932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.020878 (E_RNA)
where:
Base-Base interactions energy: -143.971
where: short stacking energy: -64.062
Base-Backbone interact. energy: 0.176
local terms energy: -59.226167
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. 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: -212.547503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.547503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.761225 (E_RNA)
where:
Base-Base interactions energy: -153.281
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.013
local terms energy: -59.467656
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.214 (S_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: 89
Temperature: 1.250000
Total energy: -176.154568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.154568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.448726 (E_RNA)
where:
Base-Base interactions energy: -125.061
where: short stacking energy: -55.679
Base-Backbone interact. energy: 0.137
local terms energy: -59.525131
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 8.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -189.925942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.925942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.974890 (E_RNA)
where:
Base-Base interactions energy: -132.775
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.103
local terms energy: -57.097104
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -169.394648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.394648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.136593 (E_RNA)
where:
Base-Base interactions energy: -123.294
where: short stacking energy: -51.823
Base-Backbone interact. energy: -0.658
local terms energy: -53.184125
where:
bonds (distance) C4'-P energy: -3.517
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 7.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -226.085022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.085022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.085022 (E_RNA)
where:
Base-Base interactions energy: -153.474
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.400
local terms energy: -72.210778
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -234.020697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.020697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.020697 (E_RNA)
where:
Base-Base interactions energy: -174.433
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.828
local terms energy: -58.759376
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -221.196115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.196115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.281328 (E_RNA)
where:
Base-Base interactions energy: -157.567
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.140
local terms energy: -63.574445
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.085 (S_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: 90
Temperature: 1.050000
Total energy: -212.079543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.079543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.166653 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -65.676
Base-Backbone interact. energy: -0.023
local terms energy: -63.536028
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.087 (S_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: 90
Temperature: 1.100000
Total energy: -205.925698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.925698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.061731 (E_RNA)
where:
Base-Base interactions energy: -146.432
where: short stacking energy: -60.446
Base-Backbone interact. energy: 1.978
local terms energy: -61.607287
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -204.080124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.080124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.193621 (E_RNA)
where:
Base-Base interactions energy: -140.014
where: short stacking energy: -55.903
Base-Backbone interact. energy: -0.005
local terms energy: -64.174956
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -196.318724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.318724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.499238 (E_RNA)
where:
Base-Base interactions energy: -141.657
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.001
local terms energy: -54.841153
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.181 (S_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: 90
Temperature: 1.250000
Total energy: -180.372681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.372681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.383135 (E_RNA)
where:
Base-Base interactions energy: -134.268
where: short stacking energy: -48.599
Base-Backbone interact. energy: -0.010
local terms energy: -53.105135
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -6.699
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 7.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -205.362052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.362052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.416015 (E_RNA)
where:
Base-Base interactions energy: -145.078
where: short stacking energy: -65.208
Base-Backbone interact. energy: 0.075
local terms energy: -60.412883
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -6.720
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -183.166489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.166489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.108582 (E_RNA)
where:
Base-Base interactions energy: -138.987
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.027
local terms energy: -52.095084
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 7.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -216.659195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.659195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.707982 (E_RNA)
where:
Base-Base interactions energy: -150.880
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.057
local terms energy: -65.770800
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.049 (S_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: 91
Temperature: 0.950000
Total energy: -224.678050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.678050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.745503 (E_RNA)
where:
Base-Base interactions energy: -160.717
where: short stacking energy: -64.188
Base-Backbone interact. energy: -0.056
local terms energy: -63.972640
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -216.463653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.463653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.587142 (E_RNA)
where:
Base-Base interactions energy: -150.957
where: short stacking energy: -62.397
Base-Backbone interact. energy: -0.043
local terms energy: -65.587834
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.123 (S_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: 91
Temperature: 1.050000
Total energy: -221.160950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266383 (E_RNA)
where:
Base-Base interactions energy: -160.661
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.021
local terms energy: -60.584051
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.105 (S_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: 91
Temperature: 1.100000
Total energy: -217.318053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.318053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.717010 (E_RNA)
where:
Base-Base interactions energy: -153.882
where: short stacking energy: -68.036
Base-Backbone interact. energy: -0.168
local terms energy: -63.667142
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.399 (S_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: 91
Temperature: 1.150000
Total energy: -207.527468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.527468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.601771 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.061
local terms energy: -65.895835
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.074 (S_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: 91
Temperature: 1.200000
Total energy: -196.234920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.234920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.255259 (E_RNA)
where:
Base-Base interactions energy: -138.151
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.689
local terms energy: -57.416058
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -200.214791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.214791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.214791 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -59.138
Base-Backbone interact. energy: 0.637
local terms energy: -48.443815
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -5.831
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -186.000502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.000502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515845 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.589
local terms energy: -53.948625
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -3.743
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 6.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -168.584952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.584952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.875417 (E_RNA)
where:
Base-Base interactions energy: -126.368
where: short stacking energy: -51.662
Base-Backbone interact. energy: -0.108
local terms energy: -50.399038
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 8.290 (S_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: 92
Temperature: 0.900000
Total energy: -224.052951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052951 (E_RNA)
where:
Base-Base interactions energy: -156.910
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.000
local terms energy: -67.142400
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.598
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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -230.221838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.221838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.294676 (E_RNA)
where:
Base-Base interactions energy: -171.308
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.196
local terms energy: -58.790947
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -216.941770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.941770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.941770 (E_RNA)
where:
Base-Base interactions energy: -155.221
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.034
local terms energy: -61.686581
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -209.380968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.380968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.393855 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.000
local terms energy: -68.252155
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.013 (S_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: 92
Temperature: 1.100000
Total energy: -212.407062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.407062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.454920 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -58.326
Base-Backbone interact. energy: -0.205
local terms energy: -68.829856
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.048 (S_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: 92
Temperature: 1.150000
Total energy: -202.436344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.436344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.512181 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.012
local terms energy: -58.979044
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.076 (S_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: 92
Temperature: 1.200000
Total energy: -203.975519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.975519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.055856 (E_RNA)
where:
Base-Base interactions energy: -139.780
where: short stacking energy: -55.409
Base-Backbone interact. energy: 0.092
local terms energy: -64.367982
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.080 (S_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: 92
Temperature: 1.250000
Total energy: -201.710492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.710492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.860449 (E_RNA)
where:
Base-Base interactions energy: -141.621
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.067
local terms energy: -60.172033
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -177.823981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.823981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.831910 (E_RNA)
where:
Base-Base interactions energy: -123.149
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.006
local terms energy: -61.677287
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 7.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -178.435966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.435966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.311310 (E_RNA)
where:
Base-Base interactions energy: -127.213
where: short stacking energy: -57.612
Base-Backbone interact. energy: -1.127
local terms energy: -56.970925
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -8.244
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 6.875 (S_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: 93
Temperature: 0.900000
Total energy: -218.773912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.773912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.857826 (E_RNA)
where:
Base-Base interactions energy: -157.478
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.001
local terms energy: -61.378924
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.084 (S_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: 93
Temperature: 0.950000
Total energy: -213.197751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.197751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.313425 (E_RNA)
where:
Base-Base interactions energy: -152.033
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.011
local terms energy: -61.269853
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.116 (S_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: 93
Temperature: 1.000000
Total energy: -218.080319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.080319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.122180 (E_RNA)
where:
Base-Base interactions energy: -161.996
where: short stacking energy: -62.136
Base-Backbone interact. energy: -0.005
local terms energy: -56.121727
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.042 (S_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: 93
Temperature: 1.050000
Total energy: -209.358012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.358012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.405848 (E_RNA)
where:
Base-Base interactions energy: -143.075
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.011
local terms energy: -66.320185
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -215.358286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.358286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.384037 (E_RNA)
where:
Base-Base interactions energy: -154.528
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.243
local terms energy: -60.612746
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.026 (S_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: 93
Temperature: 1.150000
Total energy: -201.720314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.720314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.753835 (E_RNA)
where:
Base-Base interactions energy: -143.380
where: short stacking energy: -56.540
Base-Backbone interact. energy: -0.073
local terms energy: -58.301253
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.034 (S_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: 93
Temperature: 1.200000
Total energy: -198.463737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.463737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.498132 (E_RNA)
where:
Base-Base interactions energy: -137.276
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.003
local terms energy: -61.218970
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.034 (S_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: 93
Temperature: 1.250000
Total energy: -208.708055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.708055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938491 (E_RNA)
where:
Base-Base interactions energy: -147.800
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.257
local terms energy: -60.880954
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -173.591683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.591683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.565604 (E_RNA)
where:
Base-Base interactions energy: -133.053
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.486
local terms energy: -48.026416
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -7.380
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 7.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -174.143106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.143106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.479638 (E_RNA)
where:
Base-Base interactions energy: -125.058
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.045
local terms energy: -56.376236
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -8.602
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 7.337 (S_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: 94
Temperature: 0.900000
Total energy: -215.873195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.873195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.905838 (E_RNA)
where:
Base-Base interactions energy: -151.719
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.041
local terms energy: -64.145997
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.033 (S_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: 94
Temperature: 0.950000
Total energy: -226.551256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.551256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.575037 (E_RNA)
where:
Base-Base interactions energy: -168.141
where: short stacking energy: -68.847
Base-Backbone interact. energy: -0.002
local terms energy: -58.432032
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -219.065410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.065410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167781 (E_RNA)
where:
Base-Base interactions energy: -160.537
where: short stacking energy: -62.654
Base-Backbone interact. energy: -0.637
local terms energy: -57.994182
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.102 (S_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: 94
Temperature: 1.050000
Total energy: -213.631323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.631323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.667887 (E_RNA)
where:
Base-Base interactions energy: -146.037
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.002
local terms energy: -67.629062
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.037 (S_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: 94
Temperature: 1.100000
Total energy: -211.083021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.083021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.134213 (E_RNA)
where:
Base-Base interactions energy: -144.747
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.003
local terms energy: -66.383867
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -209.596831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.596831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.680125 (E_RNA)
where:
Base-Base interactions energy: -145.569
where: short stacking energy: -60.401
Base-Backbone interact. energy: -0.007
local terms energy: -64.104215
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.083 (S_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: 94
Temperature: 1.200000
Total energy: -208.552354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.575786 (E_RNA)
where:
Base-Base interactions energy: -153.642
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.001
local terms energy: -54.932456
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -201.193470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.193470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.297583 (E_RNA)
where:
Base-Base interactions energy: -137.249
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.029
local terms energy: -64.019283
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -180.211934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.211934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.711663 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.068
local terms energy: -56.830766
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 7.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -170.057347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.057347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.715219 (E_RNA)
where:
Base-Base interactions energy: -121.860
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.342
local terms energy: -55.513840
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 7.658 (S_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: 95
Temperature: 0.900000
Total energy: -219.656393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.656393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.656393 (E_RNA)
where:
Base-Base interactions energy: -150.942
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.002
local terms energy: -68.712311
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.878
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: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -218.445834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.445834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.517552 (E_RNA)
where:
Base-Base interactions energy: -158.304
where: short stacking energy: -64.311
Base-Backbone interact. energy: -0.046
local terms energy: -60.167452
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.072 (S_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: 95
Temperature: 1.000000
Total energy: -213.792255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.792255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.792255 (E_RNA)
where:
Base-Base interactions energy: -147.738
where: short stacking energy: -61.157
Base-Backbone interact. energy: -0.579
local terms energy: -65.475378
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -6.733
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: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -210.391850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.469638 (E_RNA)
where:
Base-Base interactions energy: -140.576
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.078
local terms energy: -69.815143
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.078 (S_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: 95
Temperature: 1.100000
Total energy: -205.540815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.540815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.540815 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.114
local terms energy: -59.696330
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -205.215355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.215355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.215355 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -53.552
Base-Backbone interact. energy: -0.037
local terms energy: -57.439548
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -16.235
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: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -209.800875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800875 (E_RNA)
where:
Base-Base interactions energy: -154.622
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.075
local terms energy: -55.103341
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -7.683
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -13.921
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: 95
Temperature: 1.250000
Total energy: -198.819053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.819053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.850708 (E_RNA)
where:
Base-Base interactions energy: -135.542
where: short stacking energy: -49.662
Base-Backbone interact. energy: -0.008
local terms energy: -63.299806
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.032 (S_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: -183.622475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.622475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.513069 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.083
local terms energy: -63.924521
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 8.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -169.148822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.148822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.032254 (E_RNA)
where:
Base-Base interactions energy: -127.572
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.007
local terms energy: -51.453561
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 9.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -226.001047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.171940 (E_RNA)
where:
Base-Base interactions energy: -165.370
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.001
local terms energy: -60.801492
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.171 (S_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: 96
Temperature: 0.950000
Total energy: -217.294503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.294503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.295726 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.454
local terms energy: -67.031164
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.001 (S_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: 96
Temperature: 1.000000
Total energy: -222.846356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.846356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.868852 (E_RNA)
where:
Base-Base interactions energy: -157.651
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.003
local terms energy: -65.214315
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.022 (S_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: 96
Temperature: 1.050000
Total energy: -208.481108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495654 (E_RNA)
where:
Base-Base interactions energy: -141.855
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.128
local terms energy: -66.512762
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.015 (S_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: 96
Temperature: 1.100000
Total energy: -210.405602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.405602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.405602 (E_RNA)
where:
Base-Base interactions energy: -149.779
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.094
local terms energy: -60.532281
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -199.567509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.567509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.741450 (E_RNA)
where:
Base-Base interactions energy: -139.909
where: short stacking energy: -55.882
Base-Backbone interact. energy: 0.396
local terms energy: -60.227521
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.174 (S_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: 96
Temperature: 1.200000
Total energy: -203.994709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.994709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.031052 (E_RNA)
where:
Base-Base interactions energy: -139.607
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.000
local terms energy: -64.423407
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -194.598348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.598348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.773869 (E_RNA)
where:
Base-Base interactions energy: -133.129
where: short stacking energy: -49.260
Base-Backbone interact. energy: -0.367
local terms energy: -61.278775
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.176 (S_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: 96
Temperature: 1.300000
Total energy: -179.102203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.102203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.365754 (E_RNA)
where:
Base-Base interactions energy: -129.758
where: short stacking energy: -50.411
Base-Backbone interact. energy: 0.093
local terms energy: -57.700791
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 8.264 (S_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: -181.631647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.631647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.046607 (E_RNA)
where:
Base-Base interactions energy: -128.372
where: short stacking energy: -56.085
Base-Backbone interact. energy: -2.023
local terms energy: -58.651579
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 7.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -218.265155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.265155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.403351 (E_RNA)
where:
Base-Base interactions energy: -151.852
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.289
local terms energy: -66.262067
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.138 (S_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: 97
Temperature: 0.950000
Total energy: -218.135185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.135185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.135185 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.175
local terms energy: -64.173450
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -8.809
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -217.026559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.026559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.052437 (E_RNA)
where:
Base-Base interactions energy: -149.550
where: short stacking energy: -67.136
Base-Backbone interact. energy: -0.000
local terms energy: -67.502653
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.026 (S_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: -206.529176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.529176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.566239 (E_RNA)
where:
Base-Base interactions energy: -150.343
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.008
local terms energy: -56.215231
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -204.794145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.794145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.794145 (E_RNA)
where:
Base-Base interactions energy: -138.581
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.038
local terms energy: -66.174969
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -198.337721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.337721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.354487 (E_RNA)
where:
Base-Base interactions energy: -135.573
where: short stacking energy: -50.071
Base-Backbone interact. energy: -0.196
local terms energy: -62.585187
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -196.815992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.815992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.815992 (E_RNA)
where:
Base-Base interactions energy: -148.538
where: short stacking energy: -54.244
Base-Backbone interact. energy: 1.912
local terms energy: -50.190220
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -200.164361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.164361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.164361 (E_RNA)
where:
Base-Base interactions energy: -138.381
where: short stacking energy: -54.772
Base-Backbone interact. energy: -0.004
local terms energy: -61.779666
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -180.938667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.938667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.801795 (E_RNA)
where:
Base-Base interactions energy: -131.453
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.682
local terms energy: -56.667550
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 7.863 (S_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: -173.245117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.245117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.732017 (E_RNA)
where:
Base-Base interactions energy: -121.662
where: short stacking energy: -52.102
Base-Backbone interact. energy: -1.031
local terms energy: -58.038650
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 7.487 (S_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: 98
Temperature: 0.900000
Total energy: -225.877634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.877634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.008844 (E_RNA)
where:
Base-Base interactions energy: -159.412
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.195
local terms energy: -66.402287
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -213.364851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.364851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.381906 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.017
local terms energy: -65.946140
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.017 (S_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: -212.644597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.644597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.729906 (E_RNA)
where:
Base-Base interactions energy: -149.130
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.052
local terms energy: -63.547712
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -214.619121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.619121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.755780 (E_RNA)
where:
Base-Base interactions energy: -152.049
where: short stacking energy: -65.267
Base-Backbone interact. energy: -0.002
local terms energy: -62.704822
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -205.713610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.713610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.775587 (E_RNA)
where:
Base-Base interactions energy: -145.162
where: short stacking energy: -62.979
Base-Backbone interact. energy: -0.355
local terms energy: -60.259019
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.062 (S_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: 98
Temperature: 1.150000
Total energy: -204.995539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.069007 (E_RNA)
where:
Base-Base interactions energy: -140.143
where: short stacking energy: -53.366
Base-Backbone interact. energy: -0.756
local terms energy: -64.170385
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.073 (S_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: 98
Temperature: 1.200000
Total energy: -200.508778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.508778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.655147 (E_RNA)
where:
Base-Base interactions energy: -141.610
where: short stacking energy: -56.834
Base-Backbone interact. energy: -0.001
local terms energy: -59.044769
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -198.033231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.323801 (E_RNA)
where:
Base-Base interactions energy: -137.728
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.024
local terms energy: -60.572229
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.291 (S_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: 98
Temperature: 1.300000
Total energy: -184.786334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.786334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.580056 (E_RNA)
where:
Base-Base interactions energy: -131.732
where: short stacking energy: -57.645
Base-Backbone interact. energy: -0.616
local terms energy: -61.231637
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 8.794 (S_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: 98
Temperature: 1.350000
Total energy: -173.964577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.964577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.764108 (E_RNA)
where:
Base-Base interactions energy: -121.580
where: short stacking energy: -46.647
Base-Backbone interact. energy: -0.202
local terms energy: -57.982525
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 5.800 (S_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: 99
Temperature: 0.900000
Total energy: -227.751622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.751622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.813743 (E_RNA)
where:
Base-Base interactions energy: -163.121
where: short stacking energy: -65.132
Base-Backbone interact. energy: -0.241
local terms energy: -64.452166
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.062 (S_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: 99
Temperature: 0.950000
Total energy: -222.660941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.660941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.694330 (E_RNA)
where:
Base-Base interactions energy: -155.751
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.079
local terms energy: -66.865051
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -215.017762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.017762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051237 (E_RNA)
where:
Base-Base interactions energy: -145.597
where: short stacking energy: -57.509
Base-Backbone interact. energy: -0.092
local terms energy: -69.361552
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.033 (S_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: 99
Temperature: 1.050000
Total energy: -212.995232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.995232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.995232 (E_RNA)
where:
Base-Base interactions energy: -152.693
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.000
local terms energy: -60.301600
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -219.941308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.941308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.124308 (E_RNA)
where:
Base-Base interactions energy: -164.159
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.023
local terms energy: -55.942880
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -9.040
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.183 (S_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: 99
Temperature: 1.150000
Total energy: -199.227330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.227330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.393680 (E_RNA)
where:
Base-Base interactions energy: -150.064
where: short stacking energy: -57.482
Base-Backbone interact. energy: -0.308
local terms energy: -49.021497
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.166 (S_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: 99
Temperature: 1.200000
Total energy: -201.596868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.596868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.605488 (E_RNA)
where:
Base-Base interactions energy: -142.330
where: short stacking energy: -53.161
Base-Backbone interact. energy: -0.804
local terms energy: -58.471085
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -200.876186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.876186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.889919 (E_RNA)
where:
Base-Base interactions energy: -144.241
where: short stacking energy: -57.389
Base-Backbone interact. energy: -0.011
local terms energy: -56.638308
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.014 (S_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: 99
Temperature: 1.300000
Total energy: -176.028557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.028557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.096643 (E_RNA)
where:
Base-Base interactions energy: -127.901
where: short stacking energy: -47.057
Base-Backbone interact. energy: 0.346
local terms energy: -55.541758
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 7.068 (S_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: 99
Temperature: 1.350000
Total energy: -172.665200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.665200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.573014 (E_RNA)
where:
Base-Base interactions energy: -124.477
where: short stacking energy: -50.727
Base-Backbone interact. energy: -0.177
local terms energy: -54.918962
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 6.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -221.251612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.251612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.310758 (E_RNA)
where:
Base-Base interactions energy: -153.523
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.009
local terms energy: -67.778314
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.059 (S_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: 100
Temperature: 0.950000
Total energy: -231.175719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.175719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.186574 (E_RNA)
where:
Base-Base interactions energy: -166.169
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.625
local terms energy: -64.392229
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -213.346144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.346144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.346144 (E_RNA)
where:
Base-Base interactions energy: -143.722
where: short stacking energy: -57.552
Base-Backbone interact. energy: 0.409
local terms energy: -70.033692
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -211.443144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.443144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.443144 (E_RNA)
where:
Base-Base interactions energy: -146.382
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.038
local terms energy: -65.023337
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -209.375738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.375738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394807 (E_RNA)
where:
Base-Base interactions energy: -151.319
where: short stacking energy: -65.335
Base-Backbone interact. energy: 3.383
local terms energy: -61.458895
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -210.136095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.136095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.353330 (E_RNA)
where:
Base-Base interactions energy: -150.534
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.000
local terms energy: -59.818637
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -8.738
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.217 (S_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: 100
Temperature: 1.200000
Total energy: -210.198964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.198964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.220340 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.010
local terms energy: -62.748873
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -198.410770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.410770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.410770 (E_RNA)
where:
Base-Base interactions energy: -135.650
where: short stacking energy: -49.245
Base-Backbone interact. energy: -0.058
local terms energy: -62.702720
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -13.691
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: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -191.311922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.311922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.339864 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.001
local terms energy: -68.550901
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 7.028 (S_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: -167.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.278827 (E_RNA)
where:
Base-Base interactions energy: -124.459
where: short stacking energy: -60.191
Base-Backbone interact. energy: 1.333
local terms energy: -51.152266
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 7.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -218.961678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.961678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.961678 (E_RNA)
where:
Base-Base interactions energy: -153.523
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.122
local terms energy: -65.316699
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -16.491
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: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -220.567056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.567056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567056 (E_RNA)
where:
Base-Base interactions energy: -157.766
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.238
local terms energy: -62.562677
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -227.706863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.706863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737623 (E_RNA)
where:
Base-Base interactions energy: -167.437
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.029
local terms energy: -60.272248
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.031 (S_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: 101
Temperature: 1.050000
Total energy: -215.054490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.123039 (E_RNA)
where:
Base-Base interactions energy: -145.335
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.633
local terms energy: -69.154678
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -216.948952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.948952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.054646 (E_RNA)
where:
Base-Base interactions energy: -150.725
where: short stacking energy: -63.170
Base-Backbone interact. energy: -0.001
local terms energy: -66.328010
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.106 (S_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: 101
Temperature: 1.150000
Total energy: -203.867777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.867777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.947088 (E_RNA)
where:
Base-Base interactions energy: -144.216
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.001
local terms energy: -59.730072
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -204.191854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.191854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.336335 (E_RNA)
where:
Base-Base interactions energy: -142.797
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.012
local terms energy: -61.527504
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -206.160492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.160492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.238321 (E_RNA)
where:
Base-Base interactions energy: -145.296
where: short stacking energy: -59.184
Base-Backbone interact. energy: 0.503
local terms energy: -61.444993
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.078 (S_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: 101
Temperature: 1.300000
Total energy: -187.621452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.621452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.992354 (E_RNA)
where:
Base-Base interactions energy: -135.735
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.308
local terms energy: -59.949724
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 8.371 (S_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: -175.692592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.692592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.694616 (E_RNA)
where:
Base-Base interactions energy: -122.360
where: short stacking energy: -52.885
Base-Backbone interact. energy: -0.032
local terms energy: -61.302761
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 8.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -230.915684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.915684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.942365 (E_RNA)
where:
Base-Base interactions energy: -165.896
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.014
local terms energy: -65.032221
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.027 (S_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: 102
Temperature: 0.950000
Total energy: -225.000989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.000989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.066030 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -67.863
Base-Backbone interact. energy: 1.097
local terms energy: -71.958231
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -226.701245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.701245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.728306 (E_RNA)
where:
Base-Base interactions energy: -166.950
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.169
local terms energy: -59.609397
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.027 (S_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: 102
Temperature: 1.050000
Total energy: -205.708767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.708767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.765837 (E_RNA)
where:
Base-Base interactions energy: -145.601
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.117
local terms energy: -60.048427
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.057 (S_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: 102
Temperature: 1.100000
Total energy: -209.154837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.154837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.191971 (E_RNA)
where:
Base-Base interactions energy: -143.209
where: short stacking energy: -55.682
Base-Backbone interact. energy: -0.002
local terms energy: -65.981407
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.037 (S_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: 102
Temperature: 1.150000
Total energy: -198.683796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.683796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783248 (E_RNA)
where:
Base-Base interactions energy: -140.948
where: short stacking energy: -60.221
Base-Backbone interact. energy: -0.281
local terms energy: -57.553960
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -211.461220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.461220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.539050 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -62.321
Base-Backbone interact. energy: 0.503
local terms energy: -62.265951
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -202.030348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.030348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.148467 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.080
local terms energy: -62.428030
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.118 (S_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: -186.394107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.394107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.933264 (E_RNA)
where:
Base-Base interactions energy: -138.868
where: short stacking energy: -59.287
Base-Backbone interact. energy: 0.853
local terms energy: -55.918852
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 7.539 (S_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: 102
Temperature: 1.350000
Total energy: -166.557909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.557909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.893763 (E_RNA)
where:
Base-Base interactions energy: -121.082
where: short stacking energy: -56.552
Base-Backbone interact. energy: 2.368
local terms energy: -54.179702
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -5.842
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 6.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -225.516459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.516459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.541452 (E_RNA)
where:
Base-Base interactions energy: -161.107
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.003
local terms energy: -64.431407
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.025 (S_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: 103
Temperature: 0.950000
Total energy: -236.384878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.384878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.384878 (E_RNA)
where:
Base-Base interactions energy: -171.457
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.415
local terms energy: -64.513353
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -214.177526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.177526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.259921 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -68.668
Base-Backbone interact. energy: 0.115
local terms energy: -63.247820
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -207.543478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.543478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.627920 (E_RNA)
where:
Base-Base interactions energy: -141.524
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.029
local terms energy: -66.075055
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.084 (S_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: 103
Temperature: 1.100000
Total energy: -211.424133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.424133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.538760 (E_RNA)
where:
Base-Base interactions energy: -145.898
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.422
local terms energy: -65.218552
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -205.298368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.298368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313770 (E_RNA)
where:
Base-Base interactions energy: -137.433
where: short stacking energy: -54.969
Base-Backbone interact. energy: -0.021
local terms energy: -67.859570
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.015 (S_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: 103
Temperature: 1.200000
Total energy: -199.884177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.884177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.912249 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.658
local terms energy: -51.624295
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.028 (S_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: -179.564498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.564498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.923789 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.265
local terms energy: -53.621864
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 7.359 (S_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: 103
Temperature: 1.300000
Total energy: -193.118989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.118989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.125620 (E_RNA)
where:
Base-Base interactions energy: -133.639
where: short stacking energy: -50.132
Base-Backbone interact. energy: 0.963
local terms energy: -60.449328
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.007 (S_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: 103
Temperature: 1.350000
Total energy: -170.436904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.436904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.982012 (E_RNA)
where:
Base-Base interactions energy: -128.773
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.537
local terms energy: -48.671753
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -4.070
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 7.545 (S_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: 104
Temperature: 0.900000
Total energy: -232.018556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.018556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.085469 (E_RNA)
where:
Base-Base interactions energy: -169.407
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.010
local terms energy: -62.668421
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -220.815848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.815848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.853180 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.001
local terms energy: -61.066958
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. 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: -210.925251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.925251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.975108 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -52.790
Base-Backbone interact. energy: 0.012
local terms energy: -62.926771
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.050 (S_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: 104
Temperature: 1.050000
Total energy: -224.094190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.094190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.251413 (E_RNA)
where:
Base-Base interactions energy: -160.261
where: short stacking energy: -63.962
Base-Backbone interact. energy: 0.852
local terms energy: -64.842631
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -209.274982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.274982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.325232 (E_RNA)
where:
Base-Base interactions energy: -153.637
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.239
local terms energy: -55.449091
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.050 (S_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: 104
Temperature: 1.150000
Total energy: -201.633378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.633378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.711434 (E_RNA)
where:
Base-Base interactions energy: -145.342
where: short stacking energy: -59.857
Base-Backbone interact. energy: -0.736
local terms energy: -55.633307
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.078 (S_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: 104
Temperature: 1.200000
Total energy: -203.464217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.464217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.490996 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.227
local terms energy: -64.624015
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.027 (S_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: -189.097462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.097462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.620760 (E_RNA)
where:
Base-Base interactions energy: -135.316
where: short stacking energy: -56.402
Base-Backbone interact. energy: -1.376
local terms energy: -59.928692
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 7.523 (S_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: 104
Temperature: 1.300000
Total energy: -192.727720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.727720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.961357 (E_RNA)
where:
Base-Base interactions energy: -142.772
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.000
local terms energy: -50.189295
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -4.791
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -190.275793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.275793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.776265 (E_RNA)
where:
Base-Base interactions energy: -137.410
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.948
local terms energy: -59.418021
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 7.500 (S_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: 105
Temperature: 0.900000
Total energy: -236.150528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.236085 (E_RNA)
where:
Base-Base interactions energy: -171.685
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.014
local terms energy: -64.536168
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.086 (S_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: -229.972277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.972277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.054128 (E_RNA)
where:
Base-Base interactions energy: -164.277
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.633
local terms energy: -65.143714
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -210.568229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.618151 (E_RNA)
where:
Base-Base interactions energy: -149.226
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.579
local terms energy: -60.813069
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -220.460933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.460933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.511395 (E_RNA)
where:
Base-Base interactions energy: -156.182
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.003
local terms energy: -64.326680
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.050 (S_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: -209.654030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.654030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.660966 (E_RNA)
where:
Base-Base interactions energy: -144.628
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.012
local terms energy: -65.021534
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -219.957531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006724 (E_RNA)
where:
Base-Base interactions energy: -156.879
where: short stacking energy: -62.050
Base-Backbone interact. energy: -0.002
local terms energy: -63.126046
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.049 (S_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: 105
Temperature: 1.200000
Total energy: -209.594587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.594587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.594587 (E_RNA)
where:
Base-Base interactions energy: -143.416
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.000
local terms energy: -66.177652
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -199.625526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.625526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.678408 (E_RNA)
where:
Base-Base interactions energy: -150.510
where: short stacking energy: -58.893
Base-Backbone interact. energy: -0.384
local terms energy: -48.784218
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.053 (S_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: -174.805131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.805131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651377 (E_RNA)
where:
Base-Base interactions energy: -129.613
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.399
local terms energy: -52.639696
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 7.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -172.505087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.505087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.339423 (E_RNA)
where:
Base-Base interactions energy: -122.324
where: short stacking energy: -46.395
Base-Backbone interact. energy: -0.418
local terms energy: -59.596616
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 9.834 (S_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: -236.285323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.285323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.313781 (E_RNA)
where:
Base-Base interactions energy: -173.329
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.002
local terms energy: -62.982653
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.028 (S_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: 106
Temperature: 0.950000
Total energy: -229.026329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.026329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.045234 (E_RNA)
where:
Base-Base interactions energy: -168.873
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.002
local terms energy: -60.170059
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -0.000
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -228.321574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.321574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.329954 (E_RNA)
where:
Base-Base interactions energy: -165.216
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.204
local terms energy: -62.909900
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -216.900900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.900900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.241509 (E_RNA)
where:
Base-Base interactions energy: -147.956
where: short stacking energy: -61.318
Base-Backbone interact. energy: -0.000
local terms energy: -69.285252
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -223.535671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.535671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.572991 (E_RNA)
where:
Base-Base interactions energy: -159.009
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.021
local terms energy: -64.542918
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.037 (S_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: 106
Temperature: 1.150000
Total energy: -208.186223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.186223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.234475 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.012
local terms energy: -64.419828
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -202.130669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.130669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.461477 (E_RNA)
where:
Base-Base interactions energy: -142.228
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.254
local terms energy: -59.980416
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -195.368550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.368550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.368550 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -55.137
Base-Backbone interact. energy: 1.801
local terms energy: -56.926369
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -184.544863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.544863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304495 (E_RNA)
where:
Base-Base interactions energy: -138.679
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.077
local terms energy: -54.548579
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 8.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -175.063094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.063094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.953465 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.066
local terms energy: -61.904824
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 6.890 (S_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: -235.424840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.424840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.461526 (E_RNA)
where:
Base-Base interactions energy: -172.672
where: short stacking energy: -70.798
Base-Backbone interact. energy: -0.047
local terms energy: -62.742475
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -223.631041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.631041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.688565 (E_RNA)
where:
Base-Base interactions energy: -164.055
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.009
local terms energy: -59.624639
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -226.977331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188060 (E_RNA)
where:
Base-Base interactions energy: -172.123
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.036
local terms energy: -55.028320
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.211 (S_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: 107
Temperature: 1.050000
Total energy: -214.512206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.512206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.739306 (E_RNA)
where:
Base-Base interactions energy: -148.641
where: short stacking energy: -61.367
Base-Backbone interact. energy: 0.206
local terms energy: -66.304478
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.227 (S_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: 107
Temperature: 1.100000
Total energy: -225.973968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.973968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.048518 (E_RNA)
where:
Base-Base interactions energy: -168.225
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.004
local terms energy: -57.819572
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -204.024683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.024683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.144623 (E_RNA)
where:
Base-Base interactions energy: -140.848
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.001
local terms energy: -63.295906
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.120 (S_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: 107
Temperature: 1.200000
Total energy: -202.469182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.469182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.607664 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.001
local terms energy: -66.492658
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -190.258106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.258106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.877455 (E_RNA)
where:
Base-Base interactions energy: -141.310
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.169
local terms energy: -57.398624
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 8.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -197.856704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.856704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.984728 (E_RNA)
where:
Base-Base interactions energy: -140.155
where: short stacking energy: -62.586
Base-Backbone interact. energy: -0.000
local terms energy: -57.829149
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -182.562179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.562179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905835 (E_RNA)
where:
Base-Base interactions energy: -132.498
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.339
local terms energy: -56.069116
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 6.344 (S_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: 108
Temperature: 0.900000
Total energy: -230.249252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.249252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.281490 (E_RNA)
where:
Base-Base interactions energy: -161.500
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.016
local terms energy: -68.765990
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.032 (S_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: -244.213071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.213071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.213071 (E_RNA)
where:
Base-Base interactions energy: -184.187
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.002
local terms energy: -60.023225
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -213.160951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.160951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.185219 (E_RNA)
where:
Base-Base interactions energy: -158.193
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.126
local terms energy: -54.866132
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.024 (S_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: 108
Temperature: 1.050000
Total energy: -213.779464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.779464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.807453 (E_RNA)
where:
Base-Base interactions energy: -150.467
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.005
local terms energy: -63.335888
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.028 (S_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: 108
Temperature: 1.100000
Total energy: -222.305527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.305527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.305527 (E_RNA)
where:
Base-Base interactions energy: -168.619
where: short stacking energy: -65.327
Base-Backbone interact. energy: -0.132
local terms energy: -53.553949
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -204.473003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.473003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.518455 (E_RNA)
where:
Base-Base interactions energy: -143.646
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.172
local terms energy: -60.700318
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.045 (S_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: 108
Temperature: 1.200000
Total energy: -193.002020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.864565 (E_RNA)
where:
Base-Base interactions energy: -139.648
where: short stacking energy: -60.853
Base-Backbone interact. energy: -1.274
local terms energy: -59.942690
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 7.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -199.908676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.033018 (E_RNA)
where:
Base-Base interactions energy: -142.498
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.050
local terms energy: -57.484971
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.124 (S_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: 108
Temperature: 1.300000
Total energy: -182.780351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.780351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.745219 (E_RNA)
where:
Base-Base interactions energy: -126.308
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.005
local terms energy: -65.431760
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 8.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -193.826984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.826984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.844768 (E_RNA)
where:
Base-Base interactions energy: -132.500
where: short stacking energy: -53.203
Base-Backbone interact. energy: 0.317
local terms energy: -61.661053
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.018 (S_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: 109
Temperature: 0.900000
Total energy: -220.197445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197445 (E_RNA)
where:
Base-Base interactions energy: -149.714
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.100
local terms energy: -70.382882
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -218.387592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.387592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.387592 (E_RNA)
where:
Base-Base interactions energy: -154.573
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.000
local terms energy: -63.814719
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -17.179
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -229.135284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.135284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.182503 (E_RNA)
where:
Base-Base interactions energy: -170.378
where: short stacking energy: -71.068
Base-Backbone interact. energy: -0.002
local terms energy: -58.802380
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.047 (S_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: 109
Temperature: 1.050000
Total energy: -221.895668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.955754 (E_RNA)
where:
Base-Base interactions energy: -164.891
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.012
local terms energy: -57.053448
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -204.097494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.097494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.124325 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.005
local terms energy: -59.825393
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.027 (S_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: 109
Temperature: 1.150000
Total energy: -187.689651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.689651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.243754 (E_RNA)
where:
Base-Base interactions energy: -133.150
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.115
local terms energy: -62.978667
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 8.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -197.707646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.707646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.973093 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -59.074
Base-Backbone interact. energy: -1.316
local terms energy: -53.877657
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -199.141187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.141187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.198608 (E_RNA)
where:
Base-Base interactions energy: -139.553
where: short stacking energy: -62.682
Base-Backbone interact. energy: -0.044
local terms energy: -59.602171
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.057 (S_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: 109
Temperature: 1.300000
Total energy: -170.690714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.690714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.095955 (E_RNA)
where:
Base-Base interactions energy: -126.722
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.391
local terms energy: -50.983087
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -191.931494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.948336 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.172
local terms energy: -55.176608
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.017 (S_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: 110
Temperature: 0.900000
Total energy: -221.734998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.734998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.784490 (E_RNA)
where:
Base-Base interactions energy: -154.669
where: short stacking energy: -64.373
Base-Backbone interact. energy: 0.121
local terms energy: -67.236759
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.049 (S_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: 110
Temperature: 0.950000
Total energy: -209.938932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.938932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.980318 (E_RNA)
where:
Base-Base interactions energy: -143.686
where: short stacking energy: -54.801
Base-Backbone interact. energy: -0.001
local terms energy: -66.293353
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -227.965047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.965047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.965047 (E_RNA)
where:
Base-Base interactions energy: -164.580
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.002
local terms energy: -63.383221
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -208.324806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.324806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.416139 (E_RNA)
where:
Base-Base interactions energy: -147.906
where: short stacking energy: -62.720
Base-Backbone interact. energy: 0.029
local terms energy: -60.539313
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.091 (S_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: 110
Temperature: 1.100000
Total energy: -193.786589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.294447 (E_RNA)
where:
Base-Base interactions energy: -137.911
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.005
local terms energy: -62.377585
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 6.508 (S_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: 110
Temperature: 1.150000
Total energy: -203.300298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.300298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.403798 (E_RNA)
where:
Base-Base interactions energy: -151.459
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.240
local terms energy: -51.705091
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -8.550
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -201.675989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.675989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.675989 (E_RNA)
where:
Base-Base interactions energy: -139.766
where: short stacking energy: -57.939
Base-Backbone interact. energy: -0.043
local terms energy: -61.867297
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.283
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: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -202.385294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.385294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.462401 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.026
local terms energy: -63.848147
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. 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: -199.832279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.832279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.869574 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -55.388
Base-Backbone interact. energy: -0.988
local terms energy: -54.358365
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -177.373036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.373036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.120543 (E_RNA)
where:
Base-Base interactions energy: -125.840
where: short stacking energy: -56.389
Base-Backbone interact. energy: -0.007
local terms energy: -60.273925
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 8.748 (S_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: 111
Temperature: 0.900000
Total energy: -225.500710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.500710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.503994 (E_RNA)
where:
Base-Base interactions energy: -161.253
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.000
local terms energy: -64.250908
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -213.825263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.825263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842269 (E_RNA)
where:
Base-Base interactions energy: -147.909
where: short stacking energy: -61.577
Base-Backbone interact. energy: 0.177
local terms energy: -66.110335
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -223.933017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.933017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.124116 (E_RNA)
where:
Base-Base interactions energy: -161.823
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.001
local terms energy: -62.300870
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -211.495520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.495520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.543959 (E_RNA)
where:
Base-Base interactions energy: -145.677
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.013
local terms energy: -65.853290
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.048 (S_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: -191.829946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.829946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.304790 (E_RNA)
where:
Base-Base interactions energy: -143.493
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.031
local terms energy: -57.780986
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: 9.475 (S_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: 111
Temperature: 1.150000
Total energy: -207.183976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.183976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.398105 (E_RNA)
where:
Base-Base interactions energy: -155.640
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.327
local terms energy: -51.431230
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -6.827
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.214 (S_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: 111
Temperature: 1.200000
Total energy: -201.964378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.964378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.049902 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.001
local terms energy: -65.345735
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. 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: -206.904481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.904481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.909618 (E_RNA)
where:
Base-Base interactions energy: -144.236
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.063
local terms energy: -62.611455
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -208.789420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.789420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.895651 (E_RNA)
where:
Base-Base interactions energy: -153.739
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.035
local terms energy: -55.121903
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -185.148107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.148107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.332605 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -59.696
Base-Backbone interact. energy: -1.537
local terms energy: -58.405265
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 8.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -219.000506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.000506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.020423 (E_RNA)
where:
Base-Base interactions energy: -156.483
where: short stacking energy: -64.498
Base-Backbone interact. energy: -0.005
local terms energy: -62.531793
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.020 (S_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: 112
Temperature: 0.950000
Total energy: -227.174039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.174039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.174039 (E_RNA)
where:
Base-Base interactions energy: -158.673
where: short stacking energy: -66.765
Base-Backbone interact. energy: 0.401
local terms energy: -68.902290
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -15.644
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: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -209.983487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.983487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125347 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -60.679
Base-Backbone interact. energy: -0.020
local terms energy: -65.145160
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -209.890539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.890539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.899820 (E_RNA)
where:
Base-Base interactions energy: -151.457
where: short stacking energy: -62.815
Base-Backbone interact. energy: 0.014
local terms energy: -58.456564
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.009 (S_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: 112
Temperature: 1.100000
Total energy: -206.399275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.399275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.539819 (E_RNA)
where:
Base-Base interactions energy: -142.113
where: short stacking energy: -55.136
Base-Backbone interact. energy: -1.480
local terms energy: -62.946750
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.141 (S_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: 112
Temperature: 1.150000
Total energy: -188.327198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.327198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.544303 (E_RNA)
where:
Base-Base interactions energy: -135.240
where: short stacking energy: -58.081
Base-Backbone interact. energy: -1.391
local terms energy: -57.912791
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 6.217 (S_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: -208.168267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.168267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.232049 (E_RNA)
where:
Base-Base interactions energy: -145.120
where: short stacking energy: -59.760
Base-Backbone interact. energy: 0.375
local terms energy: -63.487077
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.064 (S_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: 112
Temperature: 1.250000
Total energy: -201.146195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.146195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.277925 (E_RNA)
where:
Base-Base interactions energy: -139.714
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.000
local terms energy: -61.563555
where:
bonds (distance) C4'-P energy: -7.571
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -179.319994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.319994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.195258 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.665
local terms energy: -64.640681
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 9.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -194.690887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.690887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711728 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -52.040
Base-Backbone interact. energy: 0.814
local terms energy: -61.347460
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -221.009652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.009652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.070364 (E_RNA)
where:
Base-Base interactions energy: -162.251
where: short stacking energy: -60.186
Base-Backbone interact. energy: -0.004
local terms energy: -58.815167
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -213.010073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.010073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.231474 (E_RNA)
where:
Base-Base interactions energy: -144.337
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.216
local terms energy: -68.678075
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -216.226432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.226432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.226432 (E_RNA)
where:
Base-Base interactions energy: -151.423
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.002
local terms energy: -64.800762
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -12.862
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: 113
Temperature: 1.050000
Total energy: -213.533963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.533963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.633317 (E_RNA)
where:
Base-Base interactions energy: -155.203
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.182
local terms energy: -58.248863
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -214.107899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.107899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.119500 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -59.079
Base-Backbone interact. energy: 0.383
local terms energy: -62.585738
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.012 (S_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: 113
Temperature: 1.150000
Total energy: -207.303907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.303907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.321221 (E_RNA)
where:
Base-Base interactions energy: -145.095
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.001
local terms energy: -62.224571
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.017 (S_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: 113
Temperature: 1.200000
Total energy: -187.947471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.947471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.136115 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.052
local terms energy: -56.829686
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 7.189 (S_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: 113
Temperature: 1.250000
Total energy: -201.203454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.203454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.280942 (E_RNA)
where:
Base-Base interactions energy: -142.489
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.245
local terms energy: -58.546808
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -172.932841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.932841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.991497 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -50.935
Base-Backbone interact. energy: -1.282
local terms energy: -57.711037
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 7.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -191.167243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.167243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.213313 (E_RNA)
where:
Base-Base interactions energy: -132.982
where: short stacking energy: -51.211
Base-Backbone interact. energy: -0.003
local terms energy: -58.227984
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -8.673
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -227.123039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.123039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.252736 (E_RNA)
where:
Base-Base interactions energy: -158.749
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.000
local terms energy: -68.503349
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -218.611946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.611946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.611946 (E_RNA)
where:
Base-Base interactions energy: -150.721
where: short stacking energy: -64.788
Base-Backbone interact. energy: -0.002
local terms energy: -67.889077
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.339
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: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -223.096593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.096593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126361 (E_RNA)
where:
Base-Base interactions energy: -163.088
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.038
local terms energy: -59.999718
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.030 (S_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: 114
Temperature: 1.050000
Total energy: -216.308433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.330660 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.000
local terms energy: -66.484159
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.022 (S_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: 114
Temperature: 1.100000
Total energy: -211.348703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.348703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.430566 (E_RNA)
where:
Base-Base interactions energy: -142.724
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.001
local terms energy: -68.706057
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.082 (S_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: 114
Temperature: 1.150000
Total energy: -211.028607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.028607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.028607 (E_RNA)
where:
Base-Base interactions energy: -155.611
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.685
local terms energy: -54.732265
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -1.230
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -210.593403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.593403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.606018 (E_RNA)
where:
Base-Base interactions energy: -147.922
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.158
local terms energy: -62.525803
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -184.079814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.079814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.146515 (E_RNA)
where:
Base-Base interactions energy: -139.315
where: short stacking energy: -52.470
Base-Backbone interact. energy: -0.070
local terms energy: -52.761346
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -7.410
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 8.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -193.845395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.845395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.856346 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.268
local terms energy: -49.696502
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -173.318207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.318207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.055220 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.286
local terms energy: -51.061274
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 7.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -232.508041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.508041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.587494 (E_RNA)
where:
Base-Base interactions energy: -162.688
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.001
local terms energy: -69.898640
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.079 (S_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: 115
Temperature: 0.950000
Total energy: -233.048088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.048088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.084018 (E_RNA)
where:
Base-Base interactions energy: -173.975
where: short stacking energy: -69.139
Base-Backbone interact. energy: -0.639
local terms energy: -58.469863
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -215.328975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.328975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.338377 (E_RNA)
where:
Base-Base interactions energy: -154.652
where: short stacking energy: -65.429
Base-Backbone interact. energy: -0.014
local terms energy: -60.672075
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.009 (S_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: 115
Temperature: 1.050000
Total energy: -208.383412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.383412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474353 (E_RNA)
where:
Base-Base interactions energy: -153.950
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.172
local terms energy: -54.352605
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.091 (S_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: 115
Temperature: 1.100000
Total energy: -208.181565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.209348 (E_RNA)
where:
Base-Base interactions energy: -149.385
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.001
local terms energy: -58.822945
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -6.960
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.028 (S_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: 115
Temperature: 1.150000
Total energy: -207.564761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.564761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.625084 (E_RNA)
where:
Base-Base interactions energy: -144.657
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.737
local terms energy: -62.230783
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -205.355301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.355301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.412408 (E_RNA)
where:
Base-Base interactions energy: -142.299
where: short stacking energy: -54.879
Base-Backbone interact. energy: -0.045
local terms energy: -63.068791
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -197.497199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.497199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.542289 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -53.936
Base-Backbone interact. energy: -0.095
local terms energy: -57.056430
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -177.283910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.283910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.143127 (E_RNA)
where:
Base-Base interactions energy: -129.531
where: short stacking energy: -52.737
Base-Backbone interact. energy: -0.308
local terms energy: -54.303655
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 6.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -173.066121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.066121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.943614 (E_RNA)
where:
Base-Base interactions energy: -128.728
where: short stacking energy: -53.737
Base-Backbone interact. energy: -0.461
local terms energy: -52.753648
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 8.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -225.295277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.295277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.511439 (E_RNA)
where:
Base-Base interactions energy: -168.287
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.708
local terms energy: -56.515872
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -229.509244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.509244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.515977 (E_RNA)
where:
Base-Base interactions energy: -165.681
where: short stacking energy: -71.958
Base-Backbone interact. energy: -0.000
local terms energy: -63.834731
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.007 (S_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: 116
Temperature: 1.000000
Total energy: -210.716543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.716543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.886999 (E_RNA)
where:
Base-Base interactions energy: -146.627
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.000
local terms energy: -64.259595
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.170 (S_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: 116
Temperature: 1.050000
Total energy: -210.318636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.318636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404347 (E_RNA)
where:
Base-Base interactions energy: -146.359
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.002
local terms energy: -64.042960
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.086 (S_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: 116
Temperature: 1.100000
Total energy: -201.239988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.239988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.316380 (E_RNA)
where:
Base-Base interactions energy: -143.515
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.188
local terms energy: -57.612971
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.076 (S_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: 116
Temperature: 1.150000
Total energy: -210.335016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.335016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.411781 (E_RNA)
where:
Base-Base interactions energy: -148.184
where: short stacking energy: -65.979
Base-Backbone interact. energy: -0.002
local terms energy: -62.225027
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -202.326446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.326446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.326446 (E_RNA)
where:
Base-Base interactions energy: -142.908
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.101
local terms energy: -59.317843
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -205.187799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.230802 (E_RNA)
where:
Base-Base interactions energy: -141.255
where: short stacking energy: -57.690
Base-Backbone interact. energy: -0.097
local terms energy: -63.879504
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.043 (S_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: 116
Temperature: 1.300000
Total energy: -170.321443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.321443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.642931 (E_RNA)
where:
Base-Base interactions energy: -121.509
where: short stacking energy: -53.928
Base-Backbone interact. energy: -0.050
local terms energy: -58.084389
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 9.321 (S_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: 116
Temperature: 1.350000
Total energy: -168.508918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.508918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.238577 (E_RNA)
where:
Base-Base interactions energy: -118.366
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.001
local terms energy: -57.871291
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 7.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -230.214857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.214857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.253661 (E_RNA)
where:
Base-Base interactions energy: -172.933
where: short stacking energy: -71.300
Base-Backbone interact. energy: -0.613
local terms energy: -56.708109
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -217.577246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.577246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617991 (E_RNA)
where:
Base-Base interactions energy: -155.135
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.001
local terms energy: -62.482233
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -216.821534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.821534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.823677 (E_RNA)
where:
Base-Base interactions energy: -153.065
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.133
local terms energy: -63.625763
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.002 (S_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: 117
Temperature: 1.050000
Total energy: -217.523549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.523549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.524588 (E_RNA)
where:
Base-Base interactions energy: -154.656
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.002
local terms energy: -62.866958
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.001 (S_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: 117
Temperature: 1.100000
Total energy: -207.402344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.402344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.403043 (E_RNA)
where:
Base-Base interactions energy: -146.792
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.002
local terms energy: -60.608898
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.001 (S_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: -208.888196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.888196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.940650 (E_RNA)
where:
Base-Base interactions energy: -147.905
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.645
local terms energy: -60.390825
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -202.480133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.480133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.524400 (E_RNA)
where:
Base-Base interactions energy: -143.618
where: short stacking energy: -54.523
Base-Backbone interact. energy: -0.013
local terms energy: -58.893248
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.044 (S_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: -182.484273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.484273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.591690 (E_RNA)
where:
Base-Base interactions energy: -131.191
where: short stacking energy: -57.936
Base-Backbone interact. energy: -0.000
local terms energy: -59.399981
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -6.935
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 8.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -197.341501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.341501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.448804 (E_RNA)
where:
Base-Base interactions energy: -139.370
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.215
local terms energy: -57.863829
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.107 (S_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: 117
Temperature: 1.350000
Total energy: -174.128243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.589549 (E_RNA)
where:
Base-Base interactions energy: -125.452
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.077
local terms energy: -57.060551
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 8.461 (S_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: 118
Temperature: 0.900000
Total energy: -225.674586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.674586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.686639 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -70.536
Base-Backbone interact. energy: 0.925
local terms energy: -69.465699
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.012 (S_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: 118
Temperature: 0.950000
Total energy: -235.304610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.304610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.314511 (E_RNA)
where:
Base-Base interactions energy: -169.463
where: short stacking energy: -65.084
Base-Backbone interact. energy: -0.694
local terms energy: -65.157375
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -213.633813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.633813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.752082 (E_RNA)
where:
Base-Base interactions energy: -149.883
where: short stacking energy: -64.832
Base-Backbone interact. energy: 0.371
local terms energy: -64.240227
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. 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: -220.028436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.028436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.212827 (E_RNA)
where:
Base-Base interactions energy: -158.020
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.003
local terms energy: -62.190144
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -0.661
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -208.669645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.669645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.687372 (E_RNA)
where:
Base-Base interactions energy: -150.688
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.729
local terms energy: -57.270281
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.018 (S_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: 118
Temperature: 1.150000
Total energy: -207.707068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.707068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.834613 (E_RNA)
where:
Base-Base interactions energy: -147.378
where: short stacking energy: -55.534
Base-Backbone interact. energy: -0.435
local terms energy: -60.021402
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.128 (S_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: 118
Temperature: 1.200000
Total energy: -191.800547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.800547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.827561 (E_RNA)
where:
Base-Base interactions energy: -142.981
where: short stacking energy: -52.764
Base-Backbone interact. energy: -0.027
local terms energy: -56.819029
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 8.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -204.460898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.460898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.509685 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.001
local terms energy: -64.090155
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -191.839944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.839944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.939203 (E_RNA)
where:
Base-Base interactions energy: -135.953
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.159
local terms energy: -55.827765
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.099 (S_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: 118
Temperature: 1.350000
Total energy: -170.510892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.510892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.177207 (E_RNA)
where:
Base-Base interactions energy: -123.212
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.007
local terms energy: -54.958288
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 7.666 (S_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: 119
Temperature: 0.900000
Total energy: -231.223749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.223749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.291775 (E_RNA)
where:
Base-Base interactions energy: -165.557
where: short stacking energy: -66.631
Base-Backbone interact. energy: -0.011
local terms energy: -65.724088
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -234.840545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.840545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.002961 (E_RNA)
where:
Base-Base interactions energy: -173.948
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.608
local terms energy: -60.446536
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.162 (S_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: 119
Temperature: 1.000000
Total energy: -222.545786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.545786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.799242 (E_RNA)
where:
Base-Base interactions energy: -154.306
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.414
local terms energy: -68.079001
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -221.402419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402419 (E_RNA)
where:
Base-Base interactions energy: -167.417
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.030
local terms energy: -53.955673
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -1.700
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -207.344682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.344682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.409142 (E_RNA)
where:
Base-Base interactions energy: -141.227
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.085
local terms energy: -66.096518
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.064 (S_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: 119
Temperature: 1.150000
Total energy: -199.685536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.829309 (E_RNA)
where:
Base-Base interactions energy: -146.253
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.301
local terms energy: -62.275271
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 9.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -199.798328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.798328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.876023 (E_RNA)
where:
Base-Base interactions energy: -149.141
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.116
local terms energy: -50.618894
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -202.598070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.598070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.598070 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.281
local terms energy: -55.256368
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -195.511688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.511688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.579230 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -49.647
Base-Backbone interact. energy: -0.087
local terms energy: -59.389497
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.068 (S_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: 119
Temperature: 1.350000
Total energy: -170.698189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.698189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.200954 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.001
local terms energy: -54.697321
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 7.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -242.025591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.025591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.076965 (E_RNA)
where:
Base-Base interactions energy: -171.726
where: short stacking energy: -69.167
Base-Backbone interact. energy: -0.041
local terms energy: -70.310069
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -234.833647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.833647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.971890 (E_RNA)
where:
Base-Base interactions energy: -172.376
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.042
local terms energy: -62.553881
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -210.376350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406806 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.090
local terms energy: -63.907130
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.030 (S_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: 120
Temperature: 1.050000
Total energy: -223.065169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.065169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.065169 (E_RNA)
where:
Base-Base interactions energy: -159.998
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.002
local terms energy: -63.065264
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -210.642840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.642840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.689015 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.010
local terms energy: -61.692617
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -183.777803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.777803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.346910 (E_RNA)
where:
Base-Base interactions energy: -133.240
where: short stacking energy: -57.650
Base-Backbone interact. energy: -1.951
local terms energy: -57.156156
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 8.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -199.169097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.169097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170558 (E_RNA)
where:
Base-Base interactions energy: -140.228
where: short stacking energy: -49.363
Base-Backbone interact. energy: -0.103
local terms energy: -58.839511
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.001 (S_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: 120
Temperature: 1.250000
Total energy: -201.551792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.551792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.690727 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -55.465
Base-Backbone interact. energy: -0.379
local terms energy: -57.616175
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.139 (S_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: 120
Temperature: 1.300000
Total energy: -168.076568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.747350 (E_RNA)
where:
Base-Base interactions energy: -117.088
where: short stacking energy: -52.167
Base-Backbone interact. energy: -0.631
local terms energy: -58.028488
where:
bonds (distance) C4'-P energy: -7.120
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 7.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -200.690233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.690233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.818643 (E_RNA)
where:
Base-Base interactions energy: -138.209
where: short stacking energy: -53.919
Base-Backbone interact. energy: -0.193
local terms energy: -62.416603
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -233.758222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.758222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.767689 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.071
local terms energy: -60.290967
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.009 (S_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: 121
Temperature: 0.950000
Total energy: -220.653766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.653766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.690009 (E_RNA)
where:
Base-Base interactions energy: -151.889
where: short stacking energy: -68.193
Base-Backbone interact. energy: 0.829
local terms energy: -69.629442
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.036 (S_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: 121
Temperature: 1.000000
Total energy: -217.438836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.438836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.454909 (E_RNA)
where:
Base-Base interactions energy: -157.700
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.010
local terms energy: -59.745637
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -210.521504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.521504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.684922 (E_RNA)
where:
Base-Base interactions energy: -143.471
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.033
local terms energy: -67.180244
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -206.558547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.558547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.558547 (E_RNA)
where:
Base-Base interactions energy: -150.179
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.002
local terms energy: -56.378383
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -8.802
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -15.253
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: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -207.726777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.764237 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.006
local terms energy: -64.100445
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -180.109349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.109349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812985 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -48.893
Base-Backbone interact. energy: -0.841
local terms energy: -61.772536
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 7.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -175.366334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.366334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.993425 (E_RNA)
where:
Base-Base interactions energy: -131.187
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.212
local terms energy: -51.594376
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 7.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -201.254278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.254278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.320663 (E_RNA)
where:
Base-Base interactions energy: -139.966
where: short stacking energy: -59.168
Base-Backbone interact. energy: -0.002
local terms energy: -61.353005
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -200.945668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.945668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945668 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -51.428
Base-Backbone interact. energy: -0.146
local terms energy: -62.874057
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -238.743844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.743844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.743844 (E_RNA)
where:
Base-Base interactions energy: -172.058
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.094
local terms energy: -66.591361
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -217.808266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.808266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.894555 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.035
local terms energy: -69.865007
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -221.805725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.805725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.919290 (E_RNA)
where:
Base-Base interactions energy: -157.983
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.017
local terms energy: -63.919982
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.114 (S_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: 122
Temperature: 1.050000
Total energy: -216.179593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.179593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.204374 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -55.052
Base-Backbone interact. energy: -0.357
local terms energy: -62.246405
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -203.142218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.142218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.237147 (E_RNA)
where:
Base-Base interactions energy: -139.879
where: short stacking energy: -51.960
Base-Backbone interact. energy: -0.177
local terms energy: -63.181690
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -204.380834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.380834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426882 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -59.167
Base-Backbone interact. energy: 0.561
local terms energy: -63.591116
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -183.525853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.525853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.312086 (E_RNA)
where:
Base-Base interactions energy: -133.259
where: short stacking energy: -56.583
Base-Backbone interact. energy: -0.010
local terms energy: -58.042877
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 7.786 (S_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: 122
Temperature: 1.250000
Total energy: -172.004326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.004326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.994018 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -57.260
Base-Backbone interact. energy: -0.256
local terms energy: -49.293600
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 7.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -194.634439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.757026 (E_RNA)
where:
Base-Base interactions energy: -130.133
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.043
local terms energy: -64.580709
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -192.573905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.573905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.631953 (E_RNA)
where:
Base-Base interactions energy: -143.049
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.278
local terms energy: -49.304170
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -237.763994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.763994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.997806 (E_RNA)
where:
Base-Base interactions energy: -169.299
where: short stacking energy: -67.877
Base-Backbone interact. energy: -0.003
local terms energy: -68.696008
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -216.605861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.605861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.735888 (E_RNA)
where:
Base-Base interactions energy: -154.147
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.729
local terms energy: -61.859336
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -209.480073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.480073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.554415 (E_RNA)
where:
Base-Base interactions energy: -150.758
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.096
local terms energy: -58.700464
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.074 (S_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: 123
Temperature: 1.050000
Total energy: -209.194376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.194376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.248149 (E_RNA)
where:
Base-Base interactions energy: -146.895
where: short stacking energy: -59.293
Base-Backbone interact. energy: -0.000
local terms energy: -62.352317
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -206.219635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.219635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.267453 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.003
local terms energy: -61.349720
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -181.973320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.973320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.665814 (E_RNA)
where:
Base-Base interactions energy: -126.398
where: short stacking energy: -51.664
Base-Backbone interact. energy: -1.602
local terms energy: -62.665529
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 8.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -205.109362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.109362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.301588 (E_RNA)
where:
Base-Base interactions energy: -148.035
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.563
local terms energy: -56.703573
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -195.705830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.705830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.789433 (E_RNA)
where:
Base-Base interactions energy: -137.141
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.001
local terms energy: -58.647982
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -179.281568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.281568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.593637 (E_RNA)
where:
Base-Base interactions energy: -136.420
where: short stacking energy: -61.352
Base-Backbone interact. energy: -1.158
local terms energy: -49.014688
where:
bonds (distance) C4'-P energy: -6.314
bonds (distance) P-C4' energy: -7.842
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 7.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -192.902788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.902788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.001348 (E_RNA)
where:
Base-Base interactions energy: -140.933
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.031
local terms energy: -52.037363
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -238.519475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.519475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.543051 (E_RNA)
where:
Base-Base interactions energy: -174.826
where: short stacking energy: -72.724
Base-Backbone interact. energy: -0.736
local terms energy: -62.981068
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -213.379672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.379672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.418228 (E_RNA)
where:
Base-Base interactions energy: -146.735
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.001
local terms energy: -66.682813
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.039 (S_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: 124
Temperature: 1.000000
Total energy: -215.925866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.960166 (E_RNA)
where:
Base-Base interactions energy: -151.596
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.105
local terms energy: -64.259186
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -214.735901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.735901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.763350 (E_RNA)
where:
Base-Base interactions energy: -150.420
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.146
local terms energy: -64.198126
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -203.619339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.654617 (E_RNA)
where:
Base-Base interactions energy: -147.699
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.105
local terms energy: -55.850675
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.035 (S_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: 124
Temperature: 1.150000
Total energy: -195.939010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.939010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405487 (E_RNA)
where:
Base-Base interactions energy: -137.118
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.005
local terms energy: -65.283183
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 6.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -204.946420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.946420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.015153 (E_RNA)
where:
Base-Base interactions energy: -141.548
where: short stacking energy: -58.950
Base-Backbone interact. energy: -0.010
local terms energy: -63.457766
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -202.907151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.907151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.029661 (E_RNA)
where:
Base-Base interactions energy: -144.694
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.001
local terms energy: -58.334065
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -193.510331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.510331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.584931 (E_RNA)
where:
Base-Base interactions energy: -143.051
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.104
local terms energy: -50.430039
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -13.202
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -171.266356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.266356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.100429 (E_RNA)
where:
Base-Base interactions energy: -120.564
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.017
local terms energy: -57.518908
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 6.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -238.450493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.450493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.460367 (E_RNA)
where:
Base-Base interactions energy: -172.727
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.254
local terms energy: -65.479341
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -220.767279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.767279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.844741 (E_RNA)
where:
Base-Base interactions energy: -158.973
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.239
local terms energy: -61.632606
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.077 (S_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: 125
Temperature: 1.000000
Total energy: -224.191921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.191921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.206000 (E_RNA)
where:
Base-Base interactions energy: -166.047
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.005
local terms energy: -58.153521
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -208.101749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.281385 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -55.384
Base-Backbone interact. energy: 0.354
local terms energy: -59.929605
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.180 (S_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: 125
Temperature: 1.100000
Total energy: -208.717588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.717588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.871996 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.010
local terms energy: -48.524213
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -216.726604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.726604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.757592 (E_RNA)
where:
Base-Base interactions energy: -152.694
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.682
local terms energy: -63.381837
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.031 (S_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: 125
Temperature: 1.200000
Total energy: -192.318494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.318494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.470045 (E_RNA)
where:
Base-Base interactions energy: -134.199
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.044
local terms energy: -65.227343
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 7.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -203.795201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.795201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.854302 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.159
local terms energy: -61.403293
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -193.627931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.746217 (E_RNA)
where:
Base-Base interactions energy: -135.281
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.117
local terms energy: -58.347345
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -178.453789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.453789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.498925 (E_RNA)
where:
Base-Base interactions energy: -131.743
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.001
local terms energy: -53.755394
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 7.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -234.285709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.285709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.344787 (E_RNA)
where:
Base-Base interactions energy: -174.615
where: short stacking energy: -68.620
Base-Backbone interact. energy: -0.013
local terms energy: -59.716798
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -216.062862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.062862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.077727 (E_RNA)
where:
Base-Base interactions energy: -148.737
where: short stacking energy: -70.140
Base-Backbone interact. energy: -0.001
local terms energy: -67.339720
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.015 (S_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: 126
Temperature: 1.000000
Total energy: -217.710802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.710802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.828827 (E_RNA)
where:
Base-Base interactions energy: -158.020
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.004
local terms energy: -59.804661
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -207.625553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.625553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.817136 (E_RNA)
where:
Base-Base interactions energy: -149.132
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.043
local terms energy: -58.642780
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.192 (S_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: 126
Temperature: 1.100000
Total energy: -209.825861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.825861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.825861 (E_RNA)
where:
Base-Base interactions energy: -148.061
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.537
local terms energy: -61.227339
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -11.558
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: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -204.169776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.169776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.197529 (E_RNA)
where:
Base-Base interactions energy: -151.146
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.006
local terms energy: -53.046330
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -211.387918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.387918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403335 (E_RNA)
where:
Base-Base interactions energy: -153.060
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.004
local terms energy: -58.338767
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.015 (S_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: 126
Temperature: 1.250000
Total energy: -200.340269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.340269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.274217 (E_RNA)
where:
Base-Base interactions energy: -143.857
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.185
local terms energy: -65.232579
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 8.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -178.521447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.521447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.674289 (E_RNA)
where:
Base-Base interactions energy: -132.981
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.048
local terms energy: -54.644441
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 9.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -191.634283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.634283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.637149 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -55.574
Base-Backbone interact. energy: -0.223
local terms energy: -54.587286
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -237.313640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.313640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.313640 (E_RNA)
where:
Base-Base interactions energy: -172.745
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.004
local terms energy: -64.564854
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -222.358631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.378682 (E_RNA)
where:
Base-Base interactions energy: -164.135
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.002
local terms energy: -58.241359
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.020 (S_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: 127
Temperature: 1.000000
Total energy: -214.556594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.556594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.981177 (E_RNA)
where:
Base-Base interactions energy: -152.706
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.025
local terms energy: -62.249830
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.425 (S_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: 127
Temperature: 1.050000
Total energy: -206.106430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.106430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259108 (E_RNA)
where:
Base-Base interactions energy: -146.760
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.004
local terms energy: -59.494559
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -207.683233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.683233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.701361 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.054
local terms energy: -63.989354
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.018 (S_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: 127
Temperature: 1.150000
Total energy: -200.929942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.929942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.931863 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.005
local terms energy: -59.453937
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.002 (S_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: 127
Temperature: 1.200000
Total energy: -204.335076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.335076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.366570 (E_RNA)
where:
Base-Base interactions energy: -141.179
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.013
local terms energy: -63.175130
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -173.258983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.258983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.623681 (E_RNA)
where:
Base-Base interactions energy: -127.718
where: short stacking energy: -48.384
Base-Backbone interact. energy: -1.512
local terms energy: -52.393559
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 8.365 (S_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: 127
Temperature: 1.300000
Total energy: -179.994065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.994065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.618940 (E_RNA)
where:
Base-Base interactions energy: -130.133
where: short stacking energy: -60.483
Base-Backbone interact. energy: -0.048
local terms energy: -58.438062
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 8.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -199.160831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.160831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235188 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.194
local terms energy: -53.458760
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -237.734434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.734434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.734434 (E_RNA)
where:
Base-Base interactions energy: -170.959
where: short stacking energy: -67.030
Base-Backbone interact. energy: -0.004
local terms energy: -66.771734
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -5.548
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: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -218.280921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.280921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.307071 (E_RNA)
where:
Base-Base interactions energy: -166.035
where: short stacking energy: -69.872
Base-Backbone interact. energy: -0.002
local terms energy: -52.269971
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -0.397
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.026 (S_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: 128
Temperature: 1.000000
Total energy: -218.094109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.094109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.247057 (E_RNA)
where:
Base-Base interactions energy: -151.119
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.157
local terms energy: -66.970849
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.153 (S_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: 128
Temperature: 1.050000
Total energy: -213.172913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.172913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.180463 (E_RNA)
where:
Base-Base interactions energy: -147.024
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.032
local terms energy: -66.124245
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -225.257811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.257811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.260580 (E_RNA)
where:
Base-Base interactions energy: -163.621
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.115
local terms energy: -61.524393
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.003 (S_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: 128
Temperature: 1.150000
Total energy: -207.728757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.728757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.879093 (E_RNA)
where:
Base-Base interactions energy: -147.552
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.041
local terms energy: -60.285153
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.150 (S_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: 128
Temperature: 1.200000
Total energy: -190.078044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.078044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.583328 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -56.893
Base-Backbone interact. energy: -1.714
local terms energy: -55.611639
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 7.505 (S_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: 128
Temperature: 1.250000
Total energy: -199.685837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.754836 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.013
local terms energy: -59.170589
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.069 (S_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: 128
Temperature: 1.300000
Total energy: -196.375572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.375572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.386619 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.002
local terms energy: -56.799694
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -186.868002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.868002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.409974 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -61.012
Base-Backbone interact. energy: -2.011
local terms energy: -61.842049
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 8.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -247.287617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.287617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.294094 (E_RNA)
where:
Base-Base interactions energy: -178.404
where: short stacking energy: -75.515
Base-Backbone interact. energy: -0.324
local terms energy: -68.566181
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -221.672027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.672027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795284 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.002
local terms energy: -69.633574
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.123 (S_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: 129
Temperature: 1.000000
Total energy: -207.933005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.933005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066840 (E_RNA)
where:
Base-Base interactions energy: -147.488
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.004
local terms energy: -60.575257
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -227.336018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.336018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.336018 (E_RNA)
where:
Base-Base interactions energy: -169.380
where: short stacking energy: -67.100
Base-Backbone interact. energy: -0.323
local terms energy: -57.632755
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -4.174
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: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -218.121049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.121049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.163186 (E_RNA)
where:
Base-Base interactions energy: -156.861
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.072
local terms energy: -61.230765
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -189.443261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.443261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.223206 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.010
local terms energy: -54.977077
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 6.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -206.569527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.569527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.746686 (E_RNA)
where:
Base-Base interactions energy: -140.753
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.100
local terms energy: -65.894186
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.177 (S_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: 129
Temperature: 1.250000
Total energy: -200.350963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.350963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.350963 (E_RNA)
where:
Base-Base interactions energy: -139.781
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.122
local terms energy: -60.448266
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -15.300
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: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -198.866674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.866674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.982285 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -52.791
Base-Backbone interact. energy: -0.001
local terms energy: -57.328392
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -184.082276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.082276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.323523 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -52.703
Base-Backbone interact. energy: -0.216
local terms energy: -63.856530
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 9.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -235.167591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.167591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.196816 (E_RNA)
where:
Base-Base interactions energy: -172.988
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.470
local terms energy: -61.738509
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -223.308077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.308077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.405031 (E_RNA)
where:
Base-Base interactions energy: -160.396
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.001
local terms energy: -63.007943
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -213.042846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.042846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.054812 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.022
local terms energy: -65.742639
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.012 (S_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: 130
Temperature: 1.050000
Total energy: -209.870124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870124 (E_RNA)
where:
Base-Base interactions energy: -146.516
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.089
local terms energy: -63.265159
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -215.223942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.223942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.264277 (E_RNA)
where:
Base-Base interactions energy: -148.238
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.126
local terms energy: -66.899400
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.040 (S_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: 130
Temperature: 1.150000
Total energy: -194.399712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859024 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.703
local terms energy: -57.203972
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 7.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -206.141280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.141280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.152509 (E_RNA)
where:
Base-Base interactions energy: -141.583
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.019
local terms energy: -64.550522
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.011 (S_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: 130
Temperature: 1.250000
Total energy: -204.885018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.885018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.890328 (E_RNA)
where:
Base-Base interactions energy: -145.557
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.011
local terms energy: -59.322480
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -185.202064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.202064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.380051 (E_RNA)
where:
Base-Base interactions energy: -136.168
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.566
local terms energy: -56.645500
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 8.178 (S_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: 130
Temperature: 1.350000
Total energy: -194.306112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.306112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.361588 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.290
local terms energy: -53.664219
where:
bonds (distance) C4'-P energy: -6.715
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -236.572215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.572215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.650419 (E_RNA)
where:
Base-Base interactions energy: -171.591
where: short stacking energy: -72.440
Base-Backbone interact. energy: -0.041
local terms energy: -65.018564
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -222.690561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.690561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.745382 (E_RNA)
where:
Base-Base interactions energy: -155.385
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.236
local terms energy: -67.123634
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -214.824258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.824258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.856090 (E_RNA)
where:
Base-Base interactions energy: -155.639
where: short stacking energy: -61.013
Base-Backbone interact. energy: 0.380
local terms energy: -59.597496
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.032 (S_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: 131
Temperature: 1.050000
Total energy: -223.984572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.984572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.023142 (E_RNA)
where:
Base-Base interactions energy: -167.297
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.583
local terms energy: -56.142744
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.039 (S_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: 131
Temperature: 1.100000
Total energy: -204.449066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.449066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.517434 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.031
local terms energy: -67.352230
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.068 (S_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: 131
Temperature: 1.150000
Total energy: -210.941701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.941701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.951785 (E_RNA)
where:
Base-Base interactions energy: -153.700
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.060
local terms energy: -57.191405
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -9.386
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -184.722246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.722246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.413467 (E_RNA)
where:
Base-Base interactions energy: -124.412
where: short stacking energy: -50.397
Base-Backbone interact. energy: -0.878
local terms energy: -67.123759
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 7.691 (S_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: 131
Temperature: 1.250000
Total energy: -186.932896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.932896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.979440 (E_RNA)
where:
Base-Base interactions energy: -130.664
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.014
local terms energy: -64.300687
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 8.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -192.555239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557789 (E_RNA)
where:
Base-Base interactions energy: -140.264
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.000
local terms energy: -52.293234
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.003 (S_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: 131
Temperature: 1.350000
Total energy: -191.355575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.355575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.464030 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.136
local terms energy: -56.113789
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -236.577883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.577883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.612295 (E_RNA)
where:
Base-Base interactions energy: -173.342
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.002
local terms energy: -63.267899
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -217.557952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.557952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590691 (E_RNA)
where:
Base-Base interactions energy: -151.907
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.000
local terms energy: -65.683123
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -219.159941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.159941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.246711 (E_RNA)
where:
Base-Base interactions energy: -158.976
where: short stacking energy: -64.288
Base-Backbone interact. energy: -0.022
local terms energy: -60.248643
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.087 (S_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: 132
Temperature: 1.050000
Total energy: -211.139640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.139640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.237813 (E_RNA)
where:
Base-Base interactions energy: -147.381
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.050
local terms energy: -63.807352
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. 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: -218.187410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.187410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.210317 (E_RNA)
where:
Base-Base interactions energy: -156.616
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.630
local terms energy: -60.963850
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.023 (S_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: 132
Temperature: 1.150000
Total energy: -207.194305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.194305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.313513 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.001
local terms energy: -66.314058
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.119 (S_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: 132
Temperature: 1.200000
Total energy: -178.699309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.699309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.732025 (E_RNA)
where:
Base-Base interactions energy: -131.263
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.035
local terms energy: -54.433556
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 7.033 (S_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: 132
Temperature: 1.250000
Total energy: -196.058536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.058536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.837048 (E_RNA)
where:
Base-Base interactions energy: -141.115
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.880
local terms energy: -60.841900
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 6.779 (S_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: 132
Temperature: 1.300000
Total energy: -190.625128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.625128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.625128 (E_RNA)
where:
Base-Base interactions energy: -134.599
where: short stacking energy: -49.906
Base-Backbone interact. energy: -1.252
local terms energy: -54.774078
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -12.795
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: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -192.869347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.869347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.933819 (E_RNA)
where:
Base-Base interactions energy: -137.435
where: short stacking energy: -50.599
Base-Backbone interact. energy: -0.082
local terms energy: -55.417009
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -231.975400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.975400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.060194 (E_RNA)
where:
Base-Base interactions energy: -167.663
where: short stacking energy: -65.269
Base-Backbone interact. energy: -0.003
local terms energy: -64.394495
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.085 (S_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: 133
Temperature: 0.950000
Total energy: -214.488899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.488899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.567804 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.336
local terms energy: -66.138051
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -225.934701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.934701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006404 (E_RNA)
where:
Base-Base interactions energy: -160.576
where: short stacking energy: -64.592
Base-Backbone interact. energy: 1.151
local terms energy: -66.581476
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -214.625711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.625711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.666656 (E_RNA)
where:
Base-Base interactions energy: -150.165
where: short stacking energy: -61.631
Base-Backbone interact. energy: 0.269
local terms energy: -64.770847
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.041 (S_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: 133
Temperature: 1.100000
Total energy: -210.152103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152103 (E_RNA)
where:
Base-Base interactions energy: -147.905
where: short stacking energy: -60.018
Base-Backbone interact. energy: -0.125
local terms energy: -62.122731
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -212.700689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.744766 (E_RNA)
where:
Base-Base interactions energy: -151.775
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.587
local terms energy: -60.383338
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.044 (S_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: 133
Temperature: 1.200000
Total energy: -183.826056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.826056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.993890 (E_RNA)
where:
Base-Base interactions energy: -131.925
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.264
local terms energy: -59.805775
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 8.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -194.312955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.312955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.501276 (E_RNA)
where:
Base-Base interactions energy: -136.324
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.005
local terms energy: -58.172592
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.188 (S_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: 133
Temperature: 1.300000
Total energy: -178.071300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.071300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.098893 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -53.274
Base-Backbone interact. energy: -0.213
local terms energy: -56.680972
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 8.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -187.579636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.579636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.579636 (E_RNA)
where:
Base-Base interactions energy: -131.384
where: short stacking energy: -48.505
Base-Backbone interact. energy: -0.061
local terms energy: -56.134336
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -233.347238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.347238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.365392 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.323
local terms energy: -61.220648
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.018 (S_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: 134
Temperature: 0.950000
Total energy: -227.116579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.116579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247137 (E_RNA)
where:
Base-Base interactions energy: -163.713
where: short stacking energy: -68.537
Base-Backbone interact. energy: -0.003
local terms energy: -63.531324
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -220.904750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.904750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.941423 (E_RNA)
where:
Base-Base interactions energy: -152.048
where: short stacking energy: -64.364
Base-Backbone interact. energy: 3.455
local terms energy: -72.349235
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -229.017875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.033752 (E_RNA)
where:
Base-Base interactions energy: -166.328
where: short stacking energy: -73.137
Base-Backbone interact. energy: -0.105
local terms energy: -62.600340
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -214.557032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.557032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.731592 (E_RNA)
where:
Base-Base interactions energy: -149.630
where: short stacking energy: -65.569
Base-Backbone interact. energy: 0.104
local terms energy: -65.205919
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -206.360994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.360994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.382408 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.046
local terms energy: -59.135868
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -209.616716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.636617 (E_RNA)
where:
Base-Base interactions energy: -152.863
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.047
local terms energy: -56.726533
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -188.062121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.062121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.901448 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.189
local terms energy: -55.471863
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -7.231
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 7.839 (S_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: 134
Temperature: 1.300000
Total energy: -193.731103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.731103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.747874 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -56.614
Base-Backbone interact. energy: 0.644
local terms energy: -56.288649
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.017 (S_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: 134
Temperature: 1.350000
Total energy: -183.565470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.565470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.768477 (E_RNA)
where:
Base-Base interactions energy: -136.798
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.260
local terms energy: -53.710663
where:
bonds (distance) C4'-P energy: -3.259
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 7.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -241.879278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.879278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.978849 (E_RNA)
where:
Base-Base interactions energy: -173.955
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.012
local terms energy: -68.011565
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -228.790038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.790038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.833180 (E_RNA)
where:
Base-Base interactions energy: -175.204
where: short stacking energy: -73.343
Base-Backbone interact. energy: -0.069
local terms energy: -53.560581
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -213.366227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.366227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.410759 (E_RNA)
where:
Base-Base interactions energy: -153.390
where: short stacking energy: -60.552
Base-Backbone interact. energy: -0.035
local terms energy: -59.985311
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -214.993253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.031249 (E_RNA)
where:
Base-Base interactions energy: -152.669
where: short stacking energy: -59.477
Base-Backbone interact. energy: 0.142
local terms energy: -62.504176
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.038 (S_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: 135
Temperature: 1.100000
Total energy: -216.777585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.777585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.785973 (E_RNA)
where:
Base-Base interactions energy: -160.752
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.433
local terms energy: -55.600487
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -2.349
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.008 (S_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: 135
Temperature: 1.150000
Total energy: -209.619948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.619948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.688831 (E_RNA)
where:
Base-Base interactions energy: -144.971
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.202
local terms energy: -64.515949
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -205.903415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.903415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.903415 (E_RNA)
where:
Base-Base interactions energy: -139.885
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.000
local terms energy: -66.017758
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -196.288111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.288111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.356824 (E_RNA)
where:
Base-Base interactions energy: -143.503
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.001
local terms energy: -52.853054
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -179.407326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.407326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242764 (E_RNA)
where:
Base-Base interactions energy: -123.633
where: short stacking energy: -56.242
Base-Backbone interact. energy: -0.089
local terms energy: -62.520860
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 6.835 (S_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: 135
Temperature: 1.350000
Total energy: -185.605072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.605072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.249822 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -59.324
Base-Backbone interact. energy: -0.018
local terms energy: -55.223738
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 7.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -240.191773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.191773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211279 (E_RNA)
where:
Base-Base interactions energy: -173.415
where: short stacking energy: -69.449
Base-Backbone interact. energy: -0.047
local terms energy: -66.748848
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -226.963598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.963598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.963598 (E_RNA)
where:
Base-Base interactions energy: -162.460
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.009
local terms energy: -64.494776
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -16.081
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: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -227.246886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.246886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.467026 (E_RNA)
where:
Base-Base interactions energy: -162.790
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.010
local terms energy: -64.666912
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -206.665019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.665019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.720916 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.016
local terms energy: -67.001518
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.056 (S_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: 136
Temperature: 1.100000
Total energy: -210.350891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.350891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.350891 (E_RNA)
where:
Base-Base interactions energy: -145.120
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.107
local terms energy: -65.123036
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -206.619631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.733850 (E_RNA)
where:
Base-Base interactions energy: -143.314
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.140
local terms energy: -63.279795
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.114 (S_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: 136
Temperature: 1.200000
Total energy: -199.174287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.191094 (E_RNA)
where:
Base-Base interactions energy: -146.772
where: short stacking energy: -57.120
Base-Backbone interact. energy: -0.018
local terms energy: -52.401231
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -199.273761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.273761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.273761 (E_RNA)
where:
Base-Base interactions energy: -141.617
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.004
local terms energy: -57.652473
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -175.018601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.018601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.396804 (E_RNA)
where:
Base-Base interactions energy: -126.632
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.031
local terms energy: -54.733060
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 6.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -175.756581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.756581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.097438 (E_RNA)
where:
Base-Base interactions energy: -126.803
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.189
local terms energy: -55.105639
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 6.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -231.033841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.033841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.085414 (E_RNA)
where:
Base-Base interactions energy: -168.302
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.063
local terms energy: -62.719830
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.052 (S_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: 137
Temperature: 0.950000
Total energy: -220.752975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.752975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.773106 (E_RNA)
where:
Base-Base interactions energy: -160.918
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.025
local terms energy: -59.829946
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.020 (S_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: 137
Temperature: 1.000000
Total energy: -226.584113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.584113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.627426 (E_RNA)
where:
Base-Base interactions energy: -164.601
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.087
local terms energy: -61.938706
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -218.747825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.747825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.792391 (E_RNA)
where:
Base-Base interactions energy: -157.078
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.121
local terms energy: -61.593635
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -216.131677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.131677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.262564 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.002
local terms energy: -68.647645
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.131 (S_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: 137
Temperature: 1.150000
Total energy: -208.242848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.242848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429406 (E_RNA)
where:
Base-Base interactions energy: -156.898
where: short stacking energy: -61.369
Base-Backbone interact. energy: -0.004
local terms energy: -51.526714
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.187 (S_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: 137
Temperature: 1.200000
Total energy: -203.686387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.686387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.748236 (E_RNA)
where:
Base-Base interactions energy: -144.463
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.541
local terms energy: -58.743596
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.062 (S_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: 137
Temperature: 1.250000
Total energy: -182.157433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.157433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.460179 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.334
local terms energy: -61.095036
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 8.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -193.387520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.387520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.392748 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.003
local terms energy: -55.765811
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -188.741875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.741875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.017986 (E_RNA)
where:
Base-Base interactions energy: -133.123
where: short stacking energy: -57.220
Base-Backbone interact. energy: -0.007
local terms energy: -64.887941
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 9.276 (S_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: 138
Temperature: 0.900000
Total energy: -213.124625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.124625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.224225 (E_RNA)
where:
Base-Base interactions energy: -153.620
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.008
local terms energy: -59.595614
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -219.971995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.971995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.971995 (E_RNA)
where:
Base-Base interactions energy: -149.498
where: short stacking energy: -66.458
Base-Backbone interact. energy: 1.681
local terms energy: -72.155157
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -214.699919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.699919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.747186 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -60.544
Base-Backbone interact. energy: -2.073
local terms energy: -67.987831
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.047 (S_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: 138
Temperature: 1.050000
Total energy: -226.454129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.454129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.569024 (E_RNA)
where:
Base-Base interactions energy: -168.253
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.059
local terms energy: -58.257670
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.115 (S_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: 138
Temperature: 1.100000
Total energy: -222.455854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.455854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.512620 (E_RNA)
where:
Base-Base interactions energy: -163.621
where: short stacking energy: -64.645
Base-Backbone interact. energy: 0.231
local terms energy: -59.122801
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.057 (S_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: 138
Temperature: 1.150000
Total energy: -204.688363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.688363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.696128 (E_RNA)
where:
Base-Base interactions energy: -140.647
where: short stacking energy: -56.334
Base-Backbone interact. energy: -0.100
local terms energy: -63.948593
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.008 (S_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: 138
Temperature: 1.200000
Total energy: -210.998768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.998768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.005288 (E_RNA)
where:
Base-Base interactions energy: -156.092
where: short stacking energy: -58.924
Base-Backbone interact. energy: -0.212
local terms energy: -54.701273
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.007 (S_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: 138
Temperature: 1.250000
Total energy: -173.015259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.015259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.094905 (E_RNA)
where:
Base-Base interactions energy: -129.553
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.465
local terms energy: -51.077196
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -6.241
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 8.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -170.515515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.560154 (E_RNA)
where:
Base-Base interactions energy: -120.661
where: short stacking energy: -47.046
Base-Backbone interact. energy: -0.032
local terms energy: -56.867372
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 7.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -198.938215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.973767 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.131
local terms energy: -56.127107
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -5.619
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.036 (S_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: 139
Temperature: 0.900000
Total energy: -222.166364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.166364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.196891 (E_RNA)
where:
Base-Base interactions energy: -154.067
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.291
local terms energy: -67.839400
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.031 (S_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: -216.421750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.421750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468454 (E_RNA)
where:
Base-Base interactions energy: -147.589
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.000
local terms energy: -68.878884
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -227.585944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.585944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.640683 (E_RNA)
where:
Base-Base interactions energy: -166.840
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.000
local terms energy: -60.800390
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: 0.758
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.055 (S_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: 139
Temperature: 1.050000
Total energy: -223.992862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.992862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.022622 (E_RNA)
where:
Base-Base interactions energy: -169.688
where: short stacking energy: -68.040
Base-Backbone interact. energy: 0.371
local terms energy: -54.705753
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -0.863
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.030 (S_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: 139
Temperature: 1.100000
Total energy: -206.828047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.828047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.864419 (E_RNA)
where:
Base-Base interactions energy: -147.982
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.126
local terms energy: -58.756274
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.036 (S_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: 139
Temperature: 1.150000
Total energy: -204.128320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.128320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.128320 (E_RNA)
where:
Base-Base interactions energy: -147.195
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.007
local terms energy: -56.926542
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -15.060
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: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -200.310830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.310830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.413072 (E_RNA)
where:
Base-Base interactions energy: -139.489
where: short stacking energy: -60.149
Base-Backbone interact. energy: 0.948
local terms energy: -61.872340
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -184.608251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.608251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.919736 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -48.810
Base-Backbone interact. energy: -0.011
local terms energy: -65.549053
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 6.311 (S_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: 139
Temperature: 1.300000
Total energy: -169.897765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.897765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.440693 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -49.835
Base-Backbone interact. energy: 0.059
local terms energy: -52.535589
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -7.855
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 7.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -188.350381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.350381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.375403 (E_RNA)
where:
Base-Base interactions energy: -129.707
where: short stacking energy: -50.761
Base-Backbone interact. energy: -0.010
local terms energy: -58.658323
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.025 (S_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: 140
Temperature: 0.900000
Total energy: -221.222748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.222748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.222748 (E_RNA)
where:
Base-Base interactions energy: -153.258
where: short stacking energy: -60.098
Base-Backbone interact. energy: 0.418
local terms energy: -68.383100
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -221.824326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.824326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.019641 (E_RNA)
where:
Base-Base interactions energy: -152.471
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.010
local terms energy: -69.539058
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.195 (S_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: 140
Temperature: 1.000000
Total energy: -223.094401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217748 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -63.924
Base-Backbone interact. energy: -0.318
local terms energy: -69.114171
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.123 (S_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: 140
Temperature: 1.050000
Total energy: -210.062994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.062994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.133428 (E_RNA)
where:
Base-Base interactions energy: -146.427
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.644
local terms energy: -63.062984
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.070 (S_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: 140
Temperature: 1.100000
Total energy: -208.111336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.111336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.149551 (E_RNA)
where:
Base-Base interactions energy: -145.151
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.010
local terms energy: -62.988691
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.038 (S_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: 140
Temperature: 1.150000
Total energy: -204.347045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.347045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351353 (E_RNA)
where:
Base-Base interactions energy: -143.317
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.141
local terms energy: -60.893571
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -198.124047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.124047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.335799 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.191
local terms energy: -58.872497
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -174.232077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.232077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.453731 (E_RNA)
where:
Base-Base interactions energy: -125.734
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.102
local terms energy: -56.617159
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 8.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -194.180129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.180129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.212471 (E_RNA)
where:
Base-Base interactions energy: -130.215
where: short stacking energy: -52.100
Base-Backbone interact. energy: -0.039
local terms energy: -63.958400
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.032 (S_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: 140
Temperature: 1.350000
Total energy: -182.630960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.630960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.961841 (E_RNA)
where:
Base-Base interactions energy: -131.730
where: short stacking energy: -57.626
Base-Backbone interact. energy: -1.704
local terms energy: -57.528271
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 8.331 (S_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: 141
Temperature: 0.900000
Total energy: -225.311861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.311861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.359427 (E_RNA)
where:
Base-Base interactions energy: -156.495
where: short stacking energy: -66.641
Base-Backbone interact. energy: 0.551
local terms energy: -69.414876
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.048 (S_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: 141
Temperature: 0.950000
Total energy: -211.687780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.687780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.771397 (E_RNA)
where:
Base-Base interactions energy: -151.093
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.326
local terms energy: -60.351812
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.084 (S_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: 141
Temperature: 1.000000
Total energy: -212.789918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.789918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795320 (E_RNA)
where:
Base-Base interactions energy: -144.240
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.001
local terms energy: -68.553580
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.005 (S_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: 141
Temperature: 1.050000
Total energy: -213.076078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.076078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.110207 (E_RNA)
where:
Base-Base interactions energy: -153.185
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.087
local terms energy: -59.838795
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.034 (S_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: 141
Temperature: 1.100000
Total energy: -208.532461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.532461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539894 (E_RNA)
where:
Base-Base interactions energy: -157.993
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.001
local terms energy: -50.546142
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -0.956
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.007 (S_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: 141
Temperature: 1.150000
Total energy: -205.701438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.701438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.799423 (E_RNA)
where:
Base-Base interactions energy: -138.017
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.009
local terms energy: -67.773421
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -196.876999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.876999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.999210 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.050
local terms energy: -57.742156
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -200.932081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.932081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.084049 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -52.775
Base-Backbone interact. energy: -0.025
local terms energy: -56.856872
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -177.266862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.266862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.203268 (E_RNA)
where:
Base-Base interactions energy: -126.479
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.018
local terms energy: -58.706453
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 7.936 (S_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: 141
Temperature: 1.350000
Total energy: -177.518813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.518813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.634083 (E_RNA)
where:
Base-Base interactions energy: -129.312
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.515
local terms energy: -54.807621
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 7.115 (S_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: 142
Temperature: 0.900000
Total energy: -226.953129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.953129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.003862 (E_RNA)
where:
Base-Base interactions energy: -166.827
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.002
local terms energy: -60.174929
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.051 (S_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: 142
Temperature: 0.950000
Total energy: -218.899000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.899000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.938552 (E_RNA)
where:
Base-Base interactions energy: -170.700
where: short stacking energy: -66.305
Base-Backbone interact. energy: -0.177
local terms energy: -48.061587
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.040 (S_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: 142
Temperature: 1.000000
Total energy: -223.544691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.544691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.594399 (E_RNA)
where:
Base-Base interactions energy: -154.160
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.001
local terms energy: -69.434118
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.050 (S_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: 142
Temperature: 1.050000
Total energy: -213.857632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.857632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.857632 (E_RNA)
where:
Base-Base interactions energy: -152.390
where: short stacking energy: -66.710
Base-Backbone interact. energy: -0.008
local terms energy: -61.459732
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -204.465757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.465757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.566087 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -56.552
Base-Backbone interact. energy: -0.004
local terms energy: -60.773399
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.100 (S_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: -210.147875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.147875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.301456 (E_RNA)
where:
Base-Base interactions energy: -154.164
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.085
local terms energy: -56.052418
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -205.076282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.076282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.104731 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.010
local terms energy: -62.576553
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -195.991683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.991683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.010846 (E_RNA)
where:
Base-Base interactions energy: -133.430
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.063
local terms energy: -62.518304
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.019 (S_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: 142
Temperature: 1.300000
Total energy: -174.469490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.469490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.530901 (E_RNA)
where:
Base-Base interactions energy: -126.975
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.018
local terms energy: -57.537338
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 10.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -175.485939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.485939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.735272 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -52.690
Base-Backbone interact. energy: -0.774
local terms energy: -56.362236
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 6.249 (S_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: 143
Temperature: 0.900000
Total energy: -231.982644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.982644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022853 (E_RNA)
where:
Base-Base interactions energy: -170.885
where: short stacking energy: -72.826
Base-Backbone interact. energy: -0.005
local terms energy: -61.133007
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -2.374
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -215.920010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.920010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.940066 (E_RNA)
where:
Base-Base interactions energy: -149.352
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.057
local terms energy: -66.531393
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.020 (S_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: 143
Temperature: 1.000000
Total energy: -220.415713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.415713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.554964 (E_RNA)
where:
Base-Base interactions energy: -163.889
where: short stacking energy: -66.233
Base-Backbone interact. energy: -0.011
local terms energy: -56.654781
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -2.835
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.139 (S_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: 143
Temperature: 1.050000
Total energy: -215.494270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.494270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.559452 (E_RNA)
where:
Base-Base interactions energy: -153.012
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.148
local terms energy: -62.399928
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -218.959061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.959061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039198 (E_RNA)
where:
Base-Base interactions energy: -149.671
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.000
local terms energy: -69.368105
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.080 (S_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: 143
Temperature: 1.150000
Total energy: -208.389370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.389370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.425116 (E_RNA)
where:
Base-Base interactions energy: -143.288
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.000
local terms energy: -65.137171
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. 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: -202.187023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.187023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.308362 (E_RNA)
where:
Base-Base interactions energy: -139.924
where: short stacking energy: -57.990
Base-Backbone interact. energy: 0.194
local terms energy: -62.578978
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -192.682744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.682744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.251582 (E_RNA)
where:
Base-Base interactions energy: -136.119
where: short stacking energy: -55.268
Base-Backbone interact. energy: 0.370
local terms energy: -57.502702
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.569 (S_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: 143
Temperature: 1.300000
Total energy: -171.836283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.836283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.779375 (E_RNA)
where:
Base-Base interactions energy: -129.420
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.081
local terms energy: -49.278609
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -6.699
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 6.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -173.470476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.470476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134060 (E_RNA)
where:
Base-Base interactions energy: -126.633
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.648
local terms energy: -53.853333
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 7.664 (S_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: 144
Temperature: 0.900000
Total energy: -224.168755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.168755 (E_RNA)
where:
Base-Base interactions energy: -166.545
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.194
local terms energy: -57.429111
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -2.722
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: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -218.455719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.455719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.494600 (E_RNA)
where:
Base-Base interactions energy: -155.059
where: short stacking energy: -62.025
Base-Backbone interact. energy: -2.270
local terms energy: -61.165548
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.039 (S_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: 144
Temperature: 1.000000
Total energy: -213.642844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.642844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.749022 (E_RNA)
where:
Base-Base interactions energy: -143.622
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.080
local terms energy: -70.047456
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.106 (S_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: 144
Temperature: 1.050000
Total energy: -218.383936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.383936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.505362 (E_RNA)
where:
Base-Base interactions energy: -163.663
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.003
local terms energy: -54.838697
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -215.943240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.943240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.966465 (E_RNA)
where:
Base-Base interactions energy: -148.344
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.012
local terms energy: -67.610611
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.023 (S_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: 144
Temperature: 1.150000
Total energy: -203.867338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.867338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.933830 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.415
local terms energy: -64.258881
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -199.096917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.096917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.272845 (E_RNA)
where:
Base-Base interactions energy: -138.822
where: short stacking energy: -53.287
Base-Backbone interact. energy: -0.051
local terms energy: -60.400331
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. 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: -201.424477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.454759 (E_RNA)
where:
Base-Base interactions energy: -137.530
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.000
local terms energy: -63.924307
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -169.314608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.314608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.908544 (E_RNA)
where:
Base-Base interactions energy: -123.294
where: short stacking energy: -45.358
Base-Backbone interact. energy: -1.374
local terms energy: -52.241271
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 7.594 (S_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: 144
Temperature: 1.350000
Total energy: -165.598280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.598280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.068190 (E_RNA)
where:
Base-Base interactions energy: -114.493
where: short stacking energy: -50.151
Base-Backbone interact. energy: -0.029
local terms energy: -59.545796
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 8.470 (S_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: 145
Temperature: 0.900000
Total energy: -222.172862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.172862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.206660 (E_RNA)
where:
Base-Base interactions energy: -153.173
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.464
local terms energy: -68.570172
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -218.963500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.963500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.974248 (E_RNA)
where:
Base-Base interactions energy: -156.355
where: short stacking energy: -62.249
Base-Backbone interact. energy: -0.000
local terms energy: -62.618415
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.011 (S_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: 145
Temperature: 1.000000
Total energy: -223.990628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.990628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.074090 (E_RNA)
where:
Base-Base interactions energy: -158.630
where: short stacking energy: -59.885
Base-Backbone interact. energy: -1.058
local terms energy: -64.385748
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. 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: -211.343446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.343446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.430402 (E_RNA)
where:
Base-Base interactions energy: -156.457
where: short stacking energy: -57.171
Base-Backbone interact. energy: -0.024
local terms energy: -54.949660
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.087 (S_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: 145
Temperature: 1.100000
Total energy: -207.428590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.428590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.486201 (E_RNA)
where:
Base-Base interactions energy: -141.401
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.097
local terms energy: -65.988026
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -194.828685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.828685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.870531 (E_RNA)
where:
Base-Base interactions energy: -137.468
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.277
local terms energy: -57.126160
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.042 (S_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: 145
Temperature: 1.200000
Total energy: -201.244008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.244008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.264380 (E_RNA)
where:
Base-Base interactions energy: -140.559
where: short stacking energy: -52.392
Base-Backbone interact. energy: -0.001
local terms energy: -60.704082
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -198.125484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.125484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.272857 (E_RNA)
where:
Base-Base interactions energy: -134.898
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.180
local terms energy: -63.194357
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -180.055527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.055527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.208152 (E_RNA)
where:
Base-Base interactions energy: -133.279
where: short stacking energy: -63.476
Base-Backbone interact. energy: -0.122
local terms energy: -55.807493
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 9.153 (S_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: 145
Temperature: 1.350000
Total energy: -173.180992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.180992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.487181 (E_RNA)
where:
Base-Base interactions energy: -122.715
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.816
local terms energy: -55.956487
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 6.306 (S_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: 146
Temperature: 0.900000
Total energy: -235.566158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.566158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.582858 (E_RNA)
where:
Base-Base interactions energy: -176.207
where: short stacking energy: -70.970
Base-Backbone interact. energy: 0.347
local terms energy: -59.723109
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -216.448008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.448008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.475740 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.003
local terms energy: -64.974648
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. 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: -211.291056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.395670 (E_RNA)
where:
Base-Base interactions energy: -146.482
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.001
local terms energy: -64.911896
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.105 (S_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: 146
Temperature: 1.050000
Total energy: -231.876479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.876479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.911824 (E_RNA)
where:
Base-Base interactions energy: -164.717
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.019
local terms energy: -67.175015
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.035 (S_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: -200.664085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.664085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739426 (E_RNA)
where:
Base-Base interactions energy: -144.715
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.018
local terms energy: -56.006256
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -6.968
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -205.769871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.769871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.787427 (E_RNA)
where:
Base-Base interactions energy: -144.740
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.011
local terms energy: -61.035807
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -201.511033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.511033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.612983 (E_RNA)
where:
Base-Base interactions energy: -143.050
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.434
local terms energy: -58.129148
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -203.479780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.479780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.591194 (E_RNA)
where:
Base-Base interactions energy: -141.144
where: short stacking energy: -58.341
Base-Backbone interact. energy: -0.221
local terms energy: -62.225851
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -186.840030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.840030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.612735 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.005
local terms energy: -62.271666
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 7.773 (S_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: 146
Temperature: 1.350000
Total energy: -182.279429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.279429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.343494 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.004
local terms energy: -57.529209
where:
bonds (distance) C4'-P energy: -6.279
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 8.064 (S_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: 147
Temperature: 0.900000
Total energy: -232.757018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.784878 (E_RNA)
where:
Base-Base interactions energy: -170.547
where: short stacking energy: -70.992
Base-Backbone interact. energy: -0.303
local terms energy: -61.934972
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.028 (S_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: -214.183248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.183248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.183248 (E_RNA)
where:
Base-Base interactions energy: -154.995
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.062
local terms energy: -59.126467
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -212.606822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.606822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.622867 (E_RNA)
where:
Base-Base interactions energy: -148.926
where: short stacking energy: -54.203
Base-Backbone interact. energy: -0.000
local terms energy: -63.696552
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.016 (S_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: 147
Temperature: 1.050000
Total energy: -223.745234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.745234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.797864 (E_RNA)
where:
Base-Base interactions energy: -163.582
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.027
local terms energy: -60.188882
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.053 (S_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: -206.021393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.021393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.055035 (E_RNA)
where:
Base-Base interactions energy: -150.458
where: short stacking energy: -54.782
Base-Backbone interact. energy: -0.041
local terms energy: -55.556475
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -1.889
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -204.932908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.932908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.049303 (E_RNA)
where:
Base-Base interactions energy: -143.212
where: short stacking energy: -50.917
Base-Backbone interact. energy: -0.330
local terms energy: -61.508112
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -212.086543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.086543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.159008 (E_RNA)
where:
Base-Base interactions energy: -154.891
where: short stacking energy: -62.424
Base-Backbone interact. energy: 1.126
local terms energy: -58.394212
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -186.402769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.402769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068794 (E_RNA)
where:
Base-Base interactions energy: -144.517
where: short stacking energy: -59.822
Base-Backbone interact. energy: 1.199
local terms energy: -51.750264
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 8.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -195.491726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.491726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.675498 (E_RNA)
where:
Base-Base interactions energy: -141.478
where: short stacking energy: -58.764
Base-Backbone interact. energy: 1.082
local terms energy: -55.279232
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.184 (S_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: 147
Temperature: 1.350000
Total energy: -180.681061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.681061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.686518 (E_RNA)
where:
Base-Base interactions energy: -132.832
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.001
local terms energy: -54.853203
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 7.005 (S_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: 148
Temperature: 0.900000
Total energy: -226.869997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.869997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.873455 (E_RNA)
where:
Base-Base interactions energy: -168.732
where: short stacking energy: -67.064
Base-Backbone interact. energy: 0.749
local terms energy: -58.889561
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.003 (S_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: 148
Temperature: 0.950000
Total energy: -222.923159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.923159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.115415 (E_RNA)
where:
Base-Base interactions energy: -158.485
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.003
local terms energy: -64.627803
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.192 (S_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: 148
Temperature: 1.000000
Total energy: -218.276190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.276190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.297013 (E_RNA)
where:
Base-Base interactions energy: -151.587
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.003
local terms energy: -66.706878
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.021 (S_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: 148
Temperature: 1.050000
Total energy: -211.154202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.154202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196033 (E_RNA)
where:
Base-Base interactions energy: -152.020
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.081
local terms energy: -59.095353
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.042 (S_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: 148
Temperature: 1.100000
Total energy: -211.677131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.677131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.691138 (E_RNA)
where:
Base-Base interactions energy: -147.231
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.240
local terms energy: -64.220405
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -206.271954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.370615 (E_RNA)
where:
Base-Base interactions energy: -141.013
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.238
local terms energy: -65.119429
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.954
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -203.811182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.811182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.994388 (E_RNA)
where:
Base-Base interactions energy: -135.748
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.635
local terms energy: -67.611393
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -178.456824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.578446 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.024
local terms energy: -57.370005
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 8.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -192.037253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.037253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.068854 (E_RNA)
where:
Base-Base interactions energy: -139.538
where: short stacking energy: -54.000
Base-Backbone interact. energy: 0.338
local terms energy: -52.868601
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -173.062865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.062865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.729055 (E_RNA)
where:
Base-Base interactions energy: -126.087
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.009
local terms energy: -55.632305
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -8.659
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 8.666 (S_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: 149
Temperature: 0.900000
Total energy: -230.176579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.176579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.183930 (E_RNA)
where:
Base-Base interactions energy: -167.469
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.012
local terms energy: -62.702896
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.007 (S_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: 149
Temperature: 0.950000
Total energy: -229.280366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.280366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.280366 (E_RNA)
where:
Base-Base interactions energy: -168.224
where: short stacking energy: -70.877
Base-Backbone interact. energy: -0.000
local terms energy: -61.056654
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -210.499009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.499009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.499009 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.390
local terms energy: -71.651618
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.943
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: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -206.231160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.231160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.248917 (E_RNA)
where:
Base-Base interactions energy: -142.655
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.003
local terms energy: -63.590309
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.018 (S_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: 149
Temperature: 1.100000
Total energy: -201.318349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.318349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357709 (E_RNA)
where:
Base-Base interactions energy: -134.601
where: short stacking energy: -51.768
Base-Backbone interact. energy: 0.397
local terms energy: -67.153471
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -200.464730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.464730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.685854 (E_RNA)
where:
Base-Base interactions energy: -135.168
where: short stacking energy: -53.794
Base-Backbone interact. energy: -0.164
local terms energy: -65.353914
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -195.762301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.762301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.771564 (E_RNA)
where:
Base-Base interactions energy: -136.286
where: short stacking energy: -51.982
Base-Backbone interact. energy: -0.002
local terms energy: -59.483512
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -191.501217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.501217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.538597 (E_RNA)
where:
Base-Base interactions energy: -144.230
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.336
local terms energy: -46.972585
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -180.399068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.399068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.902484 (E_RNA)
where:
Base-Base interactions energy: -123.170
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.104
local terms energy: -65.628732
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 8.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -178.938022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.938022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.644047 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -52.962
Base-Backbone interact. energy: -0.347
local terms energy: -63.004508
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 8.706 (S_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: 150
Temperature: 0.900000
Total energy: -224.318654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.318654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.413383 (E_RNA)
where:
Base-Base interactions energy: -160.585
where: short stacking energy: -63.855
Base-Backbone interact. energy: 0.008
local terms energy: -63.836558
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.095 (S_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: 150
Temperature: 0.950000
Total energy: -215.360554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.360554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.399914 (E_RNA)
where:
Base-Base interactions energy: -151.462
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.001
local terms energy: -63.936297
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -225.537381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.558088 (E_RNA)
where:
Base-Base interactions energy: -150.988
where: short stacking energy: -65.073
Base-Backbone interact. energy: 0.122
local terms energy: -74.692313
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.021 (S_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: 150
Temperature: 1.050000
Total energy: -207.453119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.453119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.629608 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.003
local terms energy: -62.475419
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -217.880165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.956361 (E_RNA)
where:
Base-Base interactions energy: -157.775
where: short stacking energy: -63.852
Base-Backbone interact. energy: 0.246
local terms energy: -60.427349
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.076 (S_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: 150
Temperature: 1.150000
Total energy: -207.030032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.030032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.091117 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.012
local terms energy: -57.812602
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.061 (S_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: 150
Temperature: 1.200000
Total energy: -204.873316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.873316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.873316 (E_RNA)
where:
Base-Base interactions energy: -142.678
where: short stacking energy: -58.255
Base-Backbone interact. energy: -0.005
local terms energy: -62.190444
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -191.751957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.751957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.754612 (E_RNA)
where:
Base-Base interactions energy: -138.673
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.197
local terms energy: -52.884604
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -181.485536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.485536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.077891 (E_RNA)
where:
Base-Base interactions energy: -136.539
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.001
local terms energy: -53.537294
where:
bonds (distance) C4'-P energy: -7.023
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 8.592 (S_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: 150
Temperature: 1.350000
Total energy: -170.955594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.955594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.135895 (E_RNA)
where:
Base-Base interactions energy: -119.796
where: short stacking energy: -48.323
Base-Backbone interact. energy: -0.000
local terms energy: -58.339411
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 7.180 (S_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: 151
Temperature: 0.900000
Total energy: -218.575771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.575771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.584805 (E_RNA)
where:
Base-Base interactions energy: -151.657
where: short stacking energy: -63.925
Base-Backbone interact. energy: 0.371
local terms energy: -67.299656
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -227.124819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.124819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.198930 (E_RNA)
where:
Base-Base interactions energy: -158.590
where: short stacking energy: -65.923
Base-Backbone interact. energy: -0.000
local terms energy: -68.608932
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -215.597811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.597811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.852156 (E_RNA)
where:
Base-Base interactions energy: -148.819
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.001
local terms energy: -67.032766
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.254 (S_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: 151
Temperature: 1.050000
Total energy: -210.802774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.802774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.845237 (E_RNA)
where:
Base-Base interactions energy: -142.691
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.041
local terms energy: -68.113393
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.042 (S_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: 151
Temperature: 1.100000
Total energy: -207.604289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.604289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858528 (E_RNA)
where:
Base-Base interactions energy: -141.195
where: short stacking energy: -61.538
Base-Backbone interact. energy: 0.259
local terms energy: -66.922447
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.254 (S_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: 151
Temperature: 1.150000
Total energy: -206.213752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.213752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.237120 (E_RNA)
where:
Base-Base interactions energy: -146.899
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.054
local terms energy: -59.284043
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.023 (S_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: 151
Temperature: 1.200000
Total energy: -201.508229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.508229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571159 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.295
local terms energy: -69.001220
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -186.594373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.594373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.373526 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.104
local terms energy: -64.022383
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 7.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -197.167749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.167749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.168090 (E_RNA)
where:
Base-Base interactions energy: -147.511
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.094
local terms energy: -49.562467
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -169.303579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.303579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.372221 (E_RNA)
where:
Base-Base interactions energy: -122.171
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.002
local terms energy: -54.198913
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 7.069 (S_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: -221.540657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.540657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553112 (E_RNA)
where:
Base-Base interactions energy: -156.103
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.008
local terms energy: -65.441769
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -215.304565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.358008 (E_RNA)
where:
Base-Base interactions energy: -151.307
where: short stacking energy: -57.876
Base-Backbone interact. energy: -0.592
local terms energy: -63.459521
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -228.305487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.305487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.369785 (E_RNA)
where:
Base-Base interactions energy: -165.271
where: short stacking energy: -63.249
Base-Backbone interact. energy: -0.037
local terms energy: -63.061383
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -217.126644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.126644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.140370 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.000
local terms energy: -66.434817
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.014 (S_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: 152
Temperature: 1.100000
Total energy: -206.689236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.689236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.737180 (E_RNA)
where:
Base-Base interactions energy: -152.777
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.017
local terms energy: -53.943213
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.048 (S_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: 152
Temperature: 1.150000
Total energy: -201.333221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.333221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.448792 (E_RNA)
where:
Base-Base interactions energy: -143.485
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.142
local terms energy: -57.822069
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.116 (S_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: 152
Temperature: 1.200000
Total energy: -194.116141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.116141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.244976 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -60.354
Base-Backbone interact. energy: 0.258
local terms energy: -48.976304
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -176.967791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.967791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.897772 (E_RNA)
where:
Base-Base interactions energy: -123.493
where: short stacking energy: -46.166
Base-Backbone interact. energy: -0.332
local terms energy: -60.072176
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 6.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -195.008957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.008957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.083301 (E_RNA)
where:
Base-Base interactions energy: -133.614
where: short stacking energy: -52.259
Base-Backbone interact. energy: -0.068
local terms energy: -61.401486
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.074 (S_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: 152
Temperature: 1.350000
Total energy: -172.318510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.717742 (E_RNA)
where:
Base-Base interactions energy: -121.759
where: short stacking energy: -49.252
Base-Backbone interact. energy: 1.024
local terms energy: -59.983082
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 8.399 (S_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: -214.497419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.497419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.510443 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.263
local terms energy: -60.360752
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -222.142325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157127 (E_RNA)
where:
Base-Base interactions energy: -155.884
where: short stacking energy: -58.511
Base-Backbone interact. energy: -0.009
local terms energy: -66.263644
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -216.092802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.092802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.092802 (E_RNA)
where:
Base-Base interactions energy: -151.902
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.282
local terms energy: -63.908450
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -213.954628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.954628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.954628 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.018
local terms energy: -61.095944
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -18.215
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: 153
Temperature: 1.100000
Total energy: -206.806218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.806218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.053232 (E_RNA)
where:
Base-Base interactions energy: -143.943
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.090
local terms energy: -63.020461
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.247 (S_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: 153
Temperature: 1.150000
Total energy: -202.336597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.336597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.336597 (E_RNA)
where:
Base-Base interactions energy: -148.012
where: short stacking energy: -62.792
Base-Backbone interact. energy: -0.001
local terms energy: -54.323543
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -196.846022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.846022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.862630 (E_RNA)
where:
Base-Base interactions energy: -135.448
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.178
local terms energy: -61.237439
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -203.467309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.467309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.779385 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.287
local terms energy: -63.678026
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -177.725795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.725795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.712663 (E_RNA)
where:
Base-Base interactions energy: -127.901
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.045
local terms energy: -58.767172
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 8.987 (S_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: 153
Temperature: 1.350000
Total energy: -175.574971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.009832 (E_RNA)
where:
Base-Base interactions energy: -123.385
where: short stacking energy: -49.123
Base-Backbone interact. energy: -0.065
local terms energy: -59.559791
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 7.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -231.079518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.079518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.176543 (E_RNA)
where:
Base-Base interactions energy: -171.261
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.042
local terms energy: -59.873508
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -0.588
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.097 (S_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: 154
Temperature: 0.950000
Total energy: -220.509034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.509034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.586536 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.193
local terms energy: -57.047484
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -1.304
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -207.937546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.937546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.947947 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.675
local terms energy: -65.627773
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.010 (S_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: 154
Temperature: 1.050000
Total energy: -205.823812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.823812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.978372 (E_RNA)
where:
Base-Base interactions energy: -137.573
where: short stacking energy: -57.794
Base-Backbone interact. energy: -0.316
local terms energy: -68.089669
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.155 (S_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: 154
Temperature: 1.100000
Total energy: -214.210057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.210057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.224221 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.231
local terms energy: -62.107304
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -203.261484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.261484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.296959 (E_RNA)
where:
Base-Base interactions energy: -137.738
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.123
local terms energy: -65.436101
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -193.391291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.391291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.567127 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -51.595
Base-Backbone interact. energy: -0.015
local terms energy: -59.185743
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -201.469990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.469990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.890677 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.014
local terms energy: -58.649372
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.421 (S_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: 154
Temperature: 1.300000
Total energy: -179.495249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.495249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.796976 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -60.465
Base-Backbone interact. energy: 0.560
local terms energy: -61.107982
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 7.302 (S_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: 154
Temperature: 1.350000
Total energy: -174.279300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.279300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.957344 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -55.770
Base-Backbone interact. energy: -0.193
local terms energy: -52.951117
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 6.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -230.701795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.701795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.732746 (E_RNA)
where:
Base-Base interactions energy: -166.180
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.504
local terms energy: -64.048504
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.031 (S_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: 155
Temperature: 0.950000
Total energy: -221.813068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.813068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825807 (E_RNA)
where:
Base-Base interactions energy: -161.042
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.001
local terms energy: -60.782642
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -219.488143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.488143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.488143 (E_RNA)
where:
Base-Base interactions energy: -161.853
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.006
local terms energy: -57.629101
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -212.053661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.053661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.092401 (E_RNA)
where:
Base-Base interactions energy: -153.635
where: short stacking energy: -60.365
Base-Backbone interact. energy: -0.145
local terms energy: -58.312272
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -2.439
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.039 (S_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: 155
Temperature: 1.100000
Total energy: -212.758296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.773531 (E_RNA)
where:
Base-Base interactions energy: -159.889
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.098
local terms energy: -52.786887
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -203.356416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.356416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.467166 (E_RNA)
where:
Base-Base interactions energy: -148.336
where: short stacking energy: -59.092
Base-Backbone interact. energy: 0.644
local terms energy: -55.774855
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -202.467516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.467516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.478711 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.010
local terms energy: -58.988969
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.011 (S_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: 155
Temperature: 1.250000
Total energy: -186.057821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.057821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.924882 (E_RNA)
where:
Base-Base interactions energy: -133.075
where: short stacking energy: -60.245
Base-Backbone interact. energy: -0.011
local terms energy: -60.838555
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 7.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -193.968833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.968833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.143308 (E_RNA)
where:
Base-Base interactions energy: -136.796
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.009
local terms energy: -57.338143
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.174 (S_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: 155
Temperature: 1.350000
Total energy: -175.537153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.537153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.066224 (E_RNA)
where:
Base-Base interactions energy: -127.779
where: short stacking energy: -55.172
Base-Backbone interact. energy: -1.100
local terms energy: -55.187482
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 8.529 (S_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: 156
Temperature: 0.900000
Total energy: -221.411366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.411366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.485168 (E_RNA)
where:
Base-Base interactions energy: -153.800
where: short stacking energy: -63.730
Base-Backbone interact. energy: -0.122
local terms energy: -67.562592
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.074 (S_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: 156
Temperature: 0.950000
Total energy: -229.943585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.943585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.050049 (E_RNA)
where:
Base-Base interactions energy: -170.469
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.053
local terms energy: -59.527402
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.106 (S_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: 156
Temperature: 1.000000
Total energy: -218.562426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.562426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.562426 (E_RNA)
where:
Base-Base interactions energy: -153.089
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.001
local terms energy: -65.472337
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -208.585088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.585088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.592331 (E_RNA)
where:
Base-Base interactions energy: -147.657
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.001
local terms energy: -60.934219
where:
bonds (distance) C4'-P energy: -6.178
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.007 (S_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: 156
Temperature: 1.100000
Total energy: -216.960209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.960209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.989269 (E_RNA)
where:
Base-Base interactions energy: -155.782
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.008
local terms energy: -61.199391
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -203.698667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.698667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.939558 (E_RNA)
where:
Base-Base interactions energy: -138.887
where: short stacking energy: -59.916
Base-Backbone interact. energy: 0.895
local terms energy: -65.947642
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -198.652310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.652310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.009145 (E_RNA)
where:
Base-Base interactions energy: -140.343
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.009
local terms energy: -58.656740
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.357 (S_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: 156
Temperature: 1.250000
Total energy: -174.280855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.280855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.885006 (E_RNA)
where:
Base-Base interactions energy: -131.816
where: short stacking energy: -60.310
Base-Backbone interact. energy: 0.041
local terms energy: -50.110517
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 7.604 (S_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: 156
Temperature: 1.300000
Total energy: -176.869500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.869500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.035478 (E_RNA)
where:
Base-Base interactions energy: -131.987
where: short stacking energy: -56.508
Base-Backbone interact. energy: -0.257
local terms energy: -53.790718
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 9.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -194.440226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.440226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.466268 (E_RNA)
where:
Base-Base interactions energy: -148.199
where: short stacking energy: -59.193
Base-Backbone interact. energy: 0.851
local terms energy: -47.118546
where:
bonds (distance) C4'-P energy: -1.537
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.026 (S_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: 157
Temperature: 0.900000
Total energy: -231.007912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.007912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.189670 (E_RNA)
where:
Base-Base interactions energy: -163.984
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.035
local terms energy: -67.170349
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.182 (S_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: 157
Temperature: 0.950000
Total energy: -224.318440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.318440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.740987 (E_RNA)
where:
Base-Base interactions energy: -164.139
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.139
local terms energy: -60.462861
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.423 (S_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: 157
Temperature: 1.000000
Total energy: -216.379440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.379440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.430789 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.088
local terms energy: -64.534537
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.051 (S_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: 157
Temperature: 1.050000
Total energy: -217.631647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.631647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.906485 (E_RNA)
where:
Base-Base interactions energy: -149.789
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.001
local terms energy: -68.116873
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.275 (S_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: 157
Temperature: 1.100000
Total energy: -209.410024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.410024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.608962 (E_RNA)
where:
Base-Base interactions energy: -153.018
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.044
local terms energy: -56.546921
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.199 (S_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: 157
Temperature: 1.150000
Total energy: -203.389819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.389819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.480368 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -57.120
Base-Backbone interact. energy: -0.018
local terms energy: -58.815869
where:
bonds (distance) C4'-P energy: -6.076
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -203.486027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.486027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.499910 (E_RNA)
where:
Base-Base interactions energy: -141.242
where: short stacking energy: -54.782
Base-Backbone interact. energy: -0.214
local terms energy: -62.043267
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.014 (S_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: 157
Temperature: 1.250000
Total energy: -193.456395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.456395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.830096 (E_RNA)
where:
Base-Base interactions energy: -141.772
where: short stacking energy: -53.920
Base-Backbone interact. energy: -0.030
local terms energy: -60.028002
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 8.374 (S_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: 157
Temperature: 1.300000
Total energy: -175.478666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.478666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.440897 (E_RNA)
where:
Base-Base interactions energy: -125.933
where: short stacking energy: -52.321
Base-Backbone interact. energy: -0.051
local terms energy: -59.457643
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 9.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -194.887972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.887972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.959138 (E_RNA)
where:
Base-Base interactions energy: -141.736
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.026
local terms energy: -53.196791
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -7.125
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.071 (S_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: 158
Temperature: 0.900000
Total energy: -232.620129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.620129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.726865 (E_RNA)
where:
Base-Base interactions energy: -168.100
where: short stacking energy: -70.294
Base-Backbone interact. energy: -0.004
local terms energy: -64.623646
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -212.862225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.889248 (E_RNA)
where:
Base-Base interactions energy: -149.362
where: short stacking energy: -57.309
Base-Backbone interact. energy: -0.789
local terms energy: -62.738173
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.027 (S_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: 158
Temperature: 1.000000
Total energy: -220.592188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.592188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.592188 (E_RNA)
where:
Base-Base interactions energy: -153.905
where: short stacking energy: -63.302
Base-Backbone interact. energy: -0.002
local terms energy: -66.685061
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -17.228
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: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -219.564134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.564134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.622043 (E_RNA)
where:
Base-Base interactions energy: -160.212
where: short stacking energy: -62.090
Base-Backbone interact. energy: -0.006
local terms energy: -59.404027
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -8.269
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -212.509399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.509399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.556566 (E_RNA)
where:
Base-Base interactions energy: -147.183
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.465
local terms energy: -64.908959
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.047 (S_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: 158
Temperature: 1.150000
Total energy: -203.913565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.922400 (E_RNA)
where:
Base-Base interactions energy: -143.091
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.009
local terms energy: -60.822677
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -207.070609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.070609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075857 (E_RNA)
where:
Base-Base interactions energy: -139.174
where: short stacking energy: -54.299
Base-Backbone interact. energy: 0.961
local terms energy: -68.862006
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.005 (S_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: 158
Temperature: 1.250000
Total energy: -182.750267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.750267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.206589 (E_RNA)
where:
Base-Base interactions energy: -131.772
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.008
local terms energy: -58.426693
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 7.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -186.875365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.875365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.891958 (E_RNA)
where:
Base-Base interactions energy: -133.586
where: short stacking energy: -53.995
Base-Backbone interact. energy: -0.447
local terms energy: -52.859055
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -7.651
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.017 (S_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: 158
Temperature: 1.350000
Total energy: -170.017938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.017938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.390624 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -54.305
Base-Backbone interact. energy: -0.037
local terms energy: -49.433398
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -12.026
Dist. restrs. and SS energy: 7.373 (S_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: 159
Temperature: 0.900000
Total energy: -232.492532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.492532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523943 (E_RNA)
where:
Base-Base interactions energy: -169.305
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.112
local terms energy: -63.106458
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.031 (S_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: 159
Temperature: 0.950000
Total energy: -212.216042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.216042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.305462 (E_RNA)
where:
Base-Base interactions energy: -146.427
where: short stacking energy: -58.531
Base-Backbone interact. energy: -0.080
local terms energy: -65.798930
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -212.710713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.710713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.800003 (E_RNA)
where:
Base-Base interactions energy: -151.018
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.314
local terms energy: -61.467815
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. 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: -213.165210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.165210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.300300 (E_RNA)
where:
Base-Base interactions energy: -161.388
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.006
local terms energy: -51.906317
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: 0.929
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.135 (S_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: 159
Temperature: 1.100000
Total energy: -212.730395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.783402 (E_RNA)
where:
Base-Base interactions energy: -144.714
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.001
local terms energy: -68.067760
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.053 (S_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: 159
Temperature: 1.150000
Total energy: -206.920065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.920065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.920065 (E_RNA)
where:
Base-Base interactions energy: -142.856
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.001
local terms energy: -64.062646
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -201.935197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.935197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.031378 (E_RNA)
where:
Base-Base interactions energy: -138.460
where: short stacking energy: -55.922
Base-Backbone interact. energy: 0.282
local terms energy: -63.853567
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.096 (S_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: 159
Temperature: 1.250000
Total energy: -183.458557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.458557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.306428 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.486
local terms energy: -51.558908
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -11.979
Dist. restrs. and SS energy: 6.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -200.169663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.169663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.246105 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -55.529
Base-Backbone interact. energy: -0.022
local terms energy: -61.870183
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.076 (S_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: 159
Temperature: 1.350000
Total energy: -174.849466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.849466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.266758 (E_RNA)
where:
Base-Base interactions energy: -121.731
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.149
local terms energy: -61.386947
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 8.417 (S_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: 160
Temperature: 0.900000
Total energy: -226.068225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.068225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.068225 (E_RNA)
where:
Base-Base interactions energy: -166.225
where: short stacking energy: -69.557
Base-Backbone interact. energy: -0.089
local terms energy: -59.754198
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -222.822682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.822682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.882282 (E_RNA)
where:
Base-Base interactions energy: -158.304
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.003
local terms energy: -64.575866
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. 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: -212.515578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.515578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.589823 (E_RNA)
where:
Base-Base interactions energy: -144.571
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.013
local terms energy: -68.005771
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -216.156276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.167005 (E_RNA)
where:
Base-Base interactions energy: -149.342
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.000
local terms energy: -66.824833
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.011 (S_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: 160
Temperature: 1.100000
Total energy: -208.468038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.468038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.585080 (E_RNA)
where:
Base-Base interactions energy: -144.733
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.041
local terms energy: -63.810874
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.117 (S_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: 160
Temperature: 1.150000
Total energy: -202.925177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.003919 (E_RNA)
where:
Base-Base interactions energy: -142.866
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.050
local terms energy: -60.088016
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.079 (S_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: -183.586754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.586754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.054872 (E_RNA)
where:
Base-Base interactions energy: -128.616
where: short stacking energy: -54.918
Base-Backbone interact. energy: -0.003
local terms energy: -62.435926
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 7.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -198.413388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.413388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.519416 (E_RNA)
where:
Base-Base interactions energy: -147.650
where: short stacking energy: -62.338
Base-Backbone interact. energy: 1.488
local terms energy: -52.357041
where:
bonds (distance) C4'-P energy: -3.544
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -195.408164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.408164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.535693 (E_RNA)
where:
Base-Base interactions energy: -141.436
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.295
local terms energy: -53.805085
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.128 (S_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: 160
Temperature: 1.350000
Total energy: -174.349389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.349389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.935749 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -52.555
Base-Backbone interact. energy: -0.030
local terms energy: -49.115138
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -4.849
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 7.586 (S_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: 161
Temperature: 0.900000
Total energy: -220.210474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.210474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.228080 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.000
local terms energy: -68.881446
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.018 (S_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: -217.889862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.889862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.889862 (E_RNA)
where:
Base-Base interactions energy: -162.455
where: short stacking energy: -63.351
Base-Backbone interact. energy: -0.007
local terms energy: -55.427388
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -218.790463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.790463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.804297 (E_RNA)
where:
Base-Base interactions energy: -157.191
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.002
local terms energy: -61.610726
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -213.196780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.196780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.229571 (E_RNA)
where:
Base-Base interactions energy: -150.589
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.000
local terms energy: -62.640005
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -207.742371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.742371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.852484 (E_RNA)
where:
Base-Base interactions energy: -144.966
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.008
local terms energy: -62.879059
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.110 (S_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: 161
Temperature: 1.150000
Total energy: -213.294160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.294160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.297609 (E_RNA)
where:
Base-Base interactions energy: -162.093
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.021
local terms energy: -51.183425
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.003 (S_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: 161
Temperature: 1.200000
Total energy: -185.373237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.373237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.378331 (E_RNA)
where:
Base-Base interactions energy: -139.006
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.033
local terms energy: -55.338937
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 9.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -201.036461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.079062 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.098
local terms energy: -57.310339
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -8.572
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -190.594165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.594165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.668206 (E_RNA)
where:
Base-Base interactions energy: -139.990
where: short stacking energy: -56.658
Base-Backbone interact. energy: -0.220
local terms energy: -50.458606
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.074 (S_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: 161
Temperature: 1.350000
Total energy: -176.366758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.366758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.926730 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.043
local terms energy: -50.120884
where:
bonds (distance) C4'-P energy: -6.287
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 8.560 (S_DIST_RNA)
chem. 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: -221.917234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.936941 (E_RNA)
where:
Base-Base interactions energy: -166.956
where: short stacking energy: -66.849
Base-Backbone interact. energy: 2.287
local terms energy: -57.267689
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.020 (S_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: 162
Temperature: 0.950000
Total energy: -218.574374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.701278 (E_RNA)
where:
Base-Base interactions energy: -156.999
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.235
local terms energy: -61.466387
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.127 (S_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: 162
Temperature: 1.000000
Total energy: -216.690310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.690310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.769744 (E_RNA)
where:
Base-Base interactions energy: -150.217
where: short stacking energy: -67.848
Base-Backbone interact. energy: -0.001
local terms energy: -66.552374
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -219.475019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.475019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.493302 (E_RNA)
where:
Base-Base interactions energy: -162.287
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.042
local terms energy: -57.164209
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: 0.130
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.018 (S_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: 162
Temperature: 1.100000
Total energy: -216.616468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.616468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.625547 (E_RNA)
where:
Base-Base interactions energy: -156.255
where: short stacking energy: -58.088
Base-Backbone interact. energy: -1.098
local terms energy: -59.272540
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.009 (S_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: 162
Temperature: 1.150000
Total energy: -214.590286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.590286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.628840 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -56.054
Base-Backbone interact. energy: -0.040
local terms energy: -60.278416
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.039 (S_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: 162
Temperature: 1.200000
Total energy: -200.868220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.868220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945310 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.154
local terms energy: -61.549567
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.077 (S_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: 162
Temperature: 1.250000
Total energy: -186.903365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.903365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.885857 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -55.574
Base-Backbone interact. energy: -1.013
local terms energy: -54.437358
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -1.994
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 7.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -182.171172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.171172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.190152 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.071
local terms energy: -58.709989
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 6.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -192.655717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.655717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.808475 (E_RNA)
where:
Base-Base interactions energy: -131.170
where: short stacking energy: -55.200
Base-Backbone interact. energy: -0.006
local terms energy: -61.632844
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. 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: -222.161012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.161012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.205476 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.130
local terms energy: -67.961535
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.044 (S_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: 163
Temperature: 0.950000
Total energy: -214.855980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.855980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.894480 (E_RNA)
where:
Base-Base interactions energy: -148.067
where: short stacking energy: -60.324
Base-Backbone interact. energy: -0.079
local terms energy: -66.749369
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.039 (S_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: 163
Temperature: 1.000000
Total energy: -211.441805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.441805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.481156 (E_RNA)
where:
Base-Base interactions energy: -148.286
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.300
local terms energy: -62.894977
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.039 (S_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: 163
Temperature: 1.050000
Total energy: -217.993435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.993435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096686 (E_RNA)
where:
Base-Base interactions energy: -151.565
where: short stacking energy: -63.922
Base-Backbone interact. energy: -0.004
local terms energy: -66.527819
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.103 (S_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: 163
Temperature: 1.100000
Total energy: -208.458088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.458088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.490630 (E_RNA)
where:
Base-Base interactions energy: -147.282
where: short stacking energy: -61.399
Base-Backbone interact. energy: 0.082
local terms energy: -61.289651
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.033 (S_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: 163
Temperature: 1.150000
Total energy: -205.982423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.982423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.990375 (E_RNA)
where:
Base-Base interactions energy: -148.079
where: short stacking energy: -63.917
Base-Backbone interact. energy: -0.006
local terms energy: -57.905784
where:
bonds (distance) C4'-P energy: -6.983
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.008 (S_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: 163
Temperature: 1.200000
Total energy: -191.894740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.894740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.919968 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.191
local terms energy: -60.668686
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -179.602549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.602549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.236929 (E_RNA)
where:
Base-Base interactions energy: -137.160
where: short stacking energy: -61.838
Base-Backbone interact. energy: -1.346
local terms energy: -48.731243
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 7.634 (S_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: 163
Temperature: 1.300000
Total energy: -191.018463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.018463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.311967 (E_RNA)
where:
Base-Base interactions energy: -129.790
where: short stacking energy: -59.652
Base-Backbone interact. energy: -0.011
local terms energy: -68.510394
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 7.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -202.900215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.900215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.975236 (E_RNA)
where:
Base-Base interactions energy: -144.025
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.063
local terms energy: -58.886794
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.075 (S_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: 164
Temperature: 0.900000
Total energy: -215.428154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.428154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.465435 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.002
local terms energy: -68.164436
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.037 (S_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: 164
Temperature: 0.950000
Total energy: -223.804228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.804228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.812360 (E_RNA)
where:
Base-Base interactions energy: -166.070
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.014
local terms energy: -57.727908
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -2.735
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -218.058295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.220530 (E_RNA)
where:
Base-Base interactions energy: -154.865
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.312
local terms energy: -63.043982
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.162 (S_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: 164
Temperature: 1.050000
Total energy: -212.249265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.249265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.253853 (E_RNA)
where:
Base-Base interactions energy: -144.249
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.000
local terms energy: -68.004419
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -210.755320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.810709 (E_RNA)
where:
Base-Base interactions energy: -144.419
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.575
local terms energy: -65.817274
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.055 (S_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: 164
Temperature: 1.150000
Total energy: -202.958394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.958394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.028058 (E_RNA)
where:
Base-Base interactions energy: -141.402
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.013
local terms energy: -61.613115
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.070 (S_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: 164
Temperature: 1.200000
Total energy: -210.095959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.191596 (E_RNA)
where:
Base-Base interactions energy: -155.597
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.041
local terms energy: -54.553137
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -185.022674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.022674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.974212 (E_RNA)
where:
Base-Base interactions energy: -134.024
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.942
local terms energy: -59.008209
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 8.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -203.251755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.251755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.270679 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -57.563
Base-Backbone interact. energy: -0.243
local terms energy: -48.630643
where:
bonds (distance) C4'-P energy: -8.122
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.019 (S_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: 164
Temperature: 1.350000
Total energy: -174.311482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.311482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606604 (E_RNA)
where:
Base-Base interactions energy: -124.807
where: short stacking energy: -47.044
Base-Backbone interact. energy: 0.300
local terms energy: -58.099573
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 8.295 (S_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: 165
Temperature: 0.900000
Total energy: -222.141560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.141560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.141560 (E_RNA)
where:
Base-Base interactions energy: -158.396
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.041
local terms energy: -63.704112
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -6.180
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: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -228.917057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.917057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.165926 (E_RNA)
where:
Base-Base interactions energy: -163.813
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.001
local terms energy: -65.351465
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -209.865532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.865532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.930983 (E_RNA)
where:
Base-Base interactions energy: -149.109
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.012
local terms energy: -60.810007
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -211.698964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.698964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.698964 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.449
local terms energy: -65.657544
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.679
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: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -213.073629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.073629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242990 (E_RNA)
where:
Base-Base interactions energy: -150.429
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.005
local terms energy: -62.808771
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.169 (S_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: 165
Temperature: 1.150000
Total energy: -210.893488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.893488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.893488 (E_RNA)
where:
Base-Base interactions energy: -153.987
where: short stacking energy: -58.913
Base-Backbone interact. energy: -0.068
local terms energy: -56.838336
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -212.883691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.883691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.895691 (E_RNA)
where:
Base-Base interactions energy: -152.131
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.000
local terms energy: -60.764692
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -206.620306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.620306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.686698 (E_RNA)
where:
Base-Base interactions energy: -143.614
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.011
local terms energy: -63.061450
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -173.687101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.687101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.348368 (E_RNA)
where:
Base-Base interactions energy: -122.586
where: short stacking energy: -52.563
Base-Backbone interact. energy: -0.326
local terms energy: -59.436989
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 8.661 (S_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: 165
Temperature: 1.350000
Total energy: -184.182046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.154354 (E_RNA)
where:
Base-Base interactions energy: -132.358
where: short stacking energy: -61.801
Base-Backbone interact. energy: -0.240
local terms energy: -59.555808
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 7.972 (S_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: 166
Temperature: 0.900000
Total energy: -230.566362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.566362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.683395 (E_RNA)
where:
Base-Base interactions energy: -159.647
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.000
local terms energy: -71.035682
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.117 (S_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: 166
Temperature: 0.950000
Total energy: -216.823692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.823692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.029870 (E_RNA)
where:
Base-Base interactions energy: -156.167
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.027
local terms energy: -60.835377
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.206 (S_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: 166
Temperature: 1.000000
Total energy: -214.258214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.258214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.304990 (E_RNA)
where:
Base-Base interactions energy: -150.133
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.001
local terms energy: -64.170855
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -204.716849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.716849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.734352 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -53.500
Base-Backbone interact. energy: -0.022
local terms energy: -62.732550
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.018 (S_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: 166
Temperature: 1.100000
Total energy: -209.183570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.183570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.242254 (E_RNA)
where:
Base-Base interactions energy: -151.263
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.001
local terms energy: -57.978549
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -201.019168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.019168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.124362 (E_RNA)
where:
Base-Base interactions energy: -143.910
where: short stacking energy: -54.530
Base-Backbone interact. energy: -0.004
local terms energy: -57.211071
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.105 (S_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: 166
Temperature: 1.200000
Total energy: -200.939171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.939171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101161 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.002
local terms energy: -55.075245
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -195.483239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.483239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.484478 (E_RNA)
where:
Base-Base interactions energy: -138.355
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.088
local terms energy: -57.041531
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.001 (S_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: 166
Temperature: 1.300000
Total energy: -178.096747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.096747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.255237 (E_RNA)
where:
Base-Base interactions energy: -124.774
where: short stacking energy: -58.307
Base-Backbone interact. energy: -0.371
local terms energy: -61.110413
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 8.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -180.515100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.515100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565476 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.001
local terms energy: -57.426817
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 7.050 (S_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: 167
Temperature: 0.900000
Total energy: -233.285454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.285454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.328746 (E_RNA)
where:
Base-Base interactions energy: -169.027
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.002
local terms energy: -64.300424
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.043 (S_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: 167
Temperature: 0.950000
Total energy: -214.748455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.748455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.818260 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.002
local terms energy: -64.836794
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.070 (S_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: 167
Temperature: 1.000000
Total energy: -217.178836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.178836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.178836 (E_RNA)
where:
Base-Base interactions energy: -155.316
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.002
local terms energy: -61.861342
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -8.165
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: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -218.877638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.877638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.888750 (E_RNA)
where:
Base-Base interactions energy: -164.517
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.205
local terms energy: -54.166550
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -210.343556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.423557 (E_RNA)
where:
Base-Base interactions energy: -147.696
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.002
local terms energy: -62.725675
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.080 (S_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: 167
Temperature: 1.150000
Total energy: -209.410239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.410239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.410709 (E_RNA)
where:
Base-Base interactions energy: -143.883
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.003
local terms energy: -65.524842
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.552
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: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -200.145558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.231156 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.018
local terms energy: -62.648880
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -199.972049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.972049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.010205 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -58.031
Base-Backbone interact. energy: 1.323
local terms energy: -60.739625
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.038 (S_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: 167
Temperature: 1.300000
Total energy: -184.054297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.054297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.504482 (E_RNA)
where:
Base-Base interactions energy: -132.206
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.416
local terms energy: -57.882133
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 6.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -165.071151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.071151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.495604 (E_RNA)
where:
Base-Base interactions energy: -121.059
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.908
local terms energy: -51.528518
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 8.424 (S_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: 168
Temperature: 0.900000
Total energy: -222.341224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.341224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.371269 (E_RNA)
where:
Base-Base interactions energy: -155.564
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.005
local terms energy: -66.802323
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -221.022072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.022072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.320195 (E_RNA)
where:
Base-Base interactions energy: -153.893
where: short stacking energy: -65.965
Base-Backbone interact. energy: 1.478
local terms energy: -68.905508
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -209.124181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.124181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124181 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -53.451
Base-Backbone interact. energy: -0.642
local terms energy: -62.589135
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -220.452031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.452031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.461826 (E_RNA)
where:
Base-Base interactions energy: -159.182
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.015
local terms energy: -61.264325
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -214.521131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.521131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.546464 (E_RNA)
where:
Base-Base interactions energy: -147.492
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.232
local terms energy: -66.822446
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.025 (S_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: 168
Temperature: 1.150000
Total energy: -200.847016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.847016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919004 (E_RNA)
where:
Base-Base interactions energy: -143.099
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.076
local terms energy: -57.744577
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -213.426932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.426932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.471981 (E_RNA)
where:
Base-Base interactions energy: -153.533
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.127
local terms energy: -59.811910
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -214.611482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.611482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.620701 (E_RNA)
where:
Base-Base interactions energy: -151.748
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.030
local terms energy: -62.842441
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -171.948992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.948992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.039530 (E_RNA)
where:
Base-Base interactions energy: -128.794
where: short stacking energy: -53.382
Base-Backbone interact. energy: -0.010
local terms energy: -50.236032
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 7.091 (S_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: 168
Temperature: 1.350000
Total energy: -171.729422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.729422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.699128 (E_RNA)
where:
Base-Base interactions energy: -127.278
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.001
local terms energy: -53.419919
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 8.970 (S_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: 169
Temperature: 0.900000
Total energy: -225.176244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.176244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.211825 (E_RNA)
where:
Base-Base interactions energy: -160.689
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.396
local terms energy: -64.126405
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -223.790064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.790064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.801750 (E_RNA)
where:
Base-Base interactions energy: -160.488
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.001
local terms energy: -63.313460
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -211.335304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.335304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.361422 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -58.964
Base-Backbone interact. energy: 0.212
local terms energy: -63.787681
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.026 (S_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: 169
Temperature: 1.050000
Total energy: -221.804803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.804803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.843366 (E_RNA)
where:
Base-Base interactions energy: -164.224
where: short stacking energy: -65.125
Base-Backbone interact. energy: -0.023
local terms energy: -57.596537
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -208.403442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.403442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.773236 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.061
local terms energy: -57.246574
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.370 (S_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: 169
Temperature: 1.150000
Total energy: -209.635556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.635556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.701985 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.002
local terms energy: -61.680539
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.066 (S_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: 169
Temperature: 1.200000
Total energy: -190.207443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.207443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.264522 (E_RNA)
where:
Base-Base interactions energy: -131.092
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.002
local terms energy: -59.169783
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -187.023282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.023282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.408432 (E_RNA)
where:
Base-Base interactions energy: -138.319
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.039
local terms energy: -57.049535
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 8.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -197.551545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.551545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.569525 (E_RNA)
where:
Base-Base interactions energy: -133.423
where: short stacking energy: -51.286
Base-Backbone interact. energy: -0.008
local terms energy: -64.138691
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.018 (S_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: 169
Temperature: 1.350000
Total energy: -164.534788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.534788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.840182 (E_RNA)
where:
Base-Base interactions energy: -121.637
where: short stacking energy: -48.412
Base-Backbone interact. energy: -0.299
local terms energy: -51.903875
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 9.305 (S_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: 170
Temperature: 0.900000
Total energy: -219.928976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.928976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.928976 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -65.393
Base-Backbone interact. energy: 1.809
local terms energy: -70.462374
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -218.870965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.870965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.897876 (E_RNA)
where:
Base-Base interactions energy: -156.939
where: short stacking energy: -66.018
Base-Backbone interact. energy: -0.001
local terms energy: -61.958325
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -218.722646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.722646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.722646 (E_RNA)
where:
Base-Base interactions energy: -158.531
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.010
local terms energy: -60.181340
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -206.884429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.884429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.903369 (E_RNA)
where:
Base-Base interactions energy: -145.538
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.055
local terms energy: -61.310607
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.019 (S_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: 170
Temperature: 1.100000
Total energy: -210.893426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.893426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.944895 (E_RNA)
where:
Base-Base interactions energy: -145.819
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.662
local terms energy: -64.464453
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -205.814665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.814665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.851987 (E_RNA)
where:
Base-Base interactions energy: -147.693
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.194
local terms energy: -57.965489
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.037 (S_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: 170
Temperature: 1.200000
Total energy: -172.407342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.407342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.170570 (E_RNA)
where:
Base-Base interactions energy: -123.979
where: short stacking energy: -53.440
Base-Backbone interact. energy: -0.165
local terms energy: -56.026683
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 7.763 (S_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: 170
Temperature: 1.250000
Total energy: -198.176827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.176827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.393706 (E_RNA)
where:
Base-Base interactions energy: -128.548
where: short stacking energy: -53.769
Base-Backbone interact. energy: -0.003
local terms energy: -69.842068
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.217 (S_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: 170
Temperature: 1.300000
Total energy: -195.622484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.622484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.478212 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -59.714
Base-Backbone interact. energy: -0.004
local terms energy: -61.966847
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 8.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -194.052317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.052317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.194130 (E_RNA)
where:
Base-Base interactions energy: -133.800
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.012
local terms energy: -60.382403
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.142 (S_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: 171
Temperature: 0.900000
Total energy: -230.737056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.737056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.753778 (E_RNA)
where:
Base-Base interactions energy: -161.146
where: short stacking energy: -63.784
Base-Backbone interact. energy: 0.648
local terms energy: -70.255962
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -218.719818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.719818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.800774 (E_RNA)
where:
Base-Base interactions energy: -156.340
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.000
local terms energy: -62.460411
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.081 (S_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: 171
Temperature: 1.000000
Total energy: -208.752529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.752529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.785674 (E_RNA)
where:
Base-Base interactions energy: -147.026
where: short stacking energy: -64.002
Base-Backbone interact. energy: 0.911
local terms energy: -62.670523
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -208.104228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.104228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.104228 (E_RNA)
where:
Base-Base interactions energy: -142.432
where: short stacking energy: -51.784
Base-Backbone interact. energy: -0.278
local terms energy: -65.393422
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -207.434514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.604798 (E_RNA)
where:
Base-Base interactions energy: -143.707
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.001
local terms energy: -63.897517
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.170 (S_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: 171
Temperature: 1.150000
Total energy: -185.279314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.279314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.625419 (E_RNA)
where:
Base-Base interactions energy: -132.141
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.004
local terms energy: -60.480521
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 7.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -198.603870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.603870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.862317 (E_RNA)
where:
Base-Base interactions energy: -149.592
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.001
local terms energy: -49.269070
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.258 (S_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: 171
Temperature: 1.250000
Total energy: -194.783086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.783086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.783086 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.037
local terms energy: -61.864101
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -174.946933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.946933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.163149 (E_RNA)
where:
Base-Base interactions energy: -124.185
where: short stacking energy: -52.333
Base-Backbone interact. energy: 1.648
local terms energy: -60.626147
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 8.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -200.975919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.975919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.175386 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -56.502
Base-Backbone interact. energy: -0.003
local terms energy: -59.055658
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.199 (S_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: -220.408529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.408529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.415337 (E_RNA)
where:
Base-Base interactions energy: -153.290
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.011
local terms energy: -67.114366
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -215.658621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.658621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.715225 (E_RNA)
where:
Base-Base interactions energy: -148.846
where: short stacking energy: -61.404
Base-Backbone interact. energy: -0.000
local terms energy: -66.869496
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -216.469364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.469364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.543393 (E_RNA)
where:
Base-Base interactions energy: -156.137
where: short stacking energy: -64.122
Base-Backbone interact. energy: -0.123
local terms energy: -60.283897
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.074 (S_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: 172
Temperature: 1.050000
Total energy: -214.425441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.425441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.617650 (E_RNA)
where:
Base-Base interactions energy: -151.018
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.000
local terms energy: -63.599900
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -205.880842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.880842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.898748 (E_RNA)
where:
Base-Base interactions energy: -151.580
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.086
local terms energy: -54.232336
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.018 (S_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: 172
Temperature: 1.150000
Total energy: -198.946843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.946843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.842556 (E_RNA)
where:
Base-Base interactions energy: -145.544
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.006
local terms energy: -61.292412
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 7.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -201.365038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.365038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.386814 (E_RNA)
where:
Base-Base interactions energy: -139.589
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.042
local terms energy: -61.755488
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.022 (S_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: 172
Temperature: 1.250000
Total energy: -197.425339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.425339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.526057 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.068
local terms energy: -61.936053
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -203.016587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.016587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.036498 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -58.440
Base-Backbone interact. energy: -0.057
local terms energy: -62.797449
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.020 (S_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: 172
Temperature: 1.350000
Total energy: -175.546580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.546580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.409296 (E_RNA)
where:
Base-Base interactions energy: -124.417
where: short stacking energy: -48.688
Base-Backbone interact. energy: -0.255
local terms energy: -59.738063
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 8.863 (S_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: -226.720768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.720768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.750891 (E_RNA)
where:
Base-Base interactions energy: -164.373
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.001
local terms energy: -62.377487
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -215.187060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.187060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189074 (E_RNA)
where:
Base-Base interactions energy: -148.412
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.002
local terms energy: -66.775705
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.002 (S_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: 173
Temperature: 1.000000
Total energy: -210.762293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.762293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.814198 (E_RNA)
where:
Base-Base interactions energy: -152.508
where: short stacking energy: -65.686
Base-Backbone interact. energy: -0.003
local terms energy: -58.303173
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -208.058981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.058981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.090595 (E_RNA)
where:
Base-Base interactions energy: -142.945
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.025
local terms energy: -65.120493
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -205.405777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.405777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.554933 (E_RNA)
where:
Base-Base interactions energy: -150.085
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.047
local terms energy: -55.422991
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -207.202652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.202652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.202652 (E_RNA)
where:
Base-Base interactions energy: -154.653
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.030
local terms energy: -52.519012
where:
bonds (distance) C4'-P energy: -7.697
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -14.455
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: 173
Temperature: 1.200000
Total energy: -177.468143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.468143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.828370 (E_RNA)
where:
Base-Base interactions energy: -122.786
where: short stacking energy: -47.518
Base-Backbone interact. energy: 0.269
local terms energy: -62.311730
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 7.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -194.529747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.529747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.557338 (E_RNA)
where:
Base-Base interactions energy: -141.694
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.003
local terms energy: -52.860241
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.028 (S_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: 173
Temperature: 1.300000
Total energy: -190.526838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.526838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.749540 (E_RNA)
where:
Base-Base interactions energy: -134.573
where: short stacking energy: -54.325
Base-Backbone interact. energy: -0.001
local terms energy: -56.175926
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.223 (S_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: 173
Temperature: 1.350000
Total energy: -165.166997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.166997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.922018 (E_RNA)
where:
Base-Base interactions energy: -118.953
where: short stacking energy: -47.769
Base-Backbone interact. energy: -0.418
local terms energy: -55.551229
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 9.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -217.637922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.637922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.637922 (E_RNA)
where:
Base-Base interactions energy: -150.343
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.123
local terms energy: -67.171970
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -220.194663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.194663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.199532 (E_RNA)
where:
Base-Base interactions energy: -154.553
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.002
local terms energy: -65.644632
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.005 (S_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: 174
Temperature: 1.000000
Total energy: -217.529041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.529041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.646834 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.019
local terms energy: -57.673647
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -219.547393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.547393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.547405 (E_RNA)
where:
Base-Base interactions energy: -152.607
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.272
local terms energy: -66.668444
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -19.367
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -205.898413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.898413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.959966 (E_RNA)
where:
Base-Base interactions energy: -153.331
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.125
local terms energy: -52.503822
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.062 (S_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: -226.873565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.873565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.917766 (E_RNA)
where:
Base-Base interactions energy: -167.766
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.321
local terms energy: -58.830432
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.044 (S_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: 174
Temperature: 1.200000
Total energy: -195.879911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.879911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.001913 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.003
local terms energy: -54.243066
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -186.800228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.800228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.253482 (E_RNA)
where:
Base-Base interactions energy: -135.876
where: short stacking energy: -60.197
Base-Backbone interact. energy: -0.506
local terms energy: -59.871483
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 9.453 (S_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: 174
Temperature: 1.300000
Total energy: -187.308686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.308686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.743557 (E_RNA)
where:
Base-Base interactions energy: -138.674
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.769
local terms energy: -56.301449
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 8.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -191.305778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.305778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309773 (E_RNA)
where:
Base-Base interactions energy: -135.387
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.150
local terms energy: -55.772836
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -224.907575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.907575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.048251 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.279
local terms energy: -58.620411
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -232.827632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.827632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.827632 (E_RNA)
where:
Base-Base interactions energy: -175.549
where: short stacking energy: -71.406
Base-Backbone interact. energy: -0.002
local terms energy: -57.277307
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -16.037
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: 175
Temperature: 1.000000
Total energy: -210.430280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.430280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435508 (E_RNA)
where:
Base-Base interactions energy: -145.624
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.016
local terms energy: -64.795031
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -209.356724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.356724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.489023 (E_RNA)
where:
Base-Base interactions energy: -149.702
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.003
local terms energy: -59.783986
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -208.742712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.742712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.776556 (E_RNA)
where:
Base-Base interactions energy: -155.469
where: short stacking energy: -57.760
Base-Backbone interact. energy: -0.067
local terms energy: -53.240966
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -8.039
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -215.024902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.024902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.241877 (E_RNA)
where:
Base-Base interactions energy: -156.115
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.008
local terms energy: -59.118735
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.217 (S_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: 175
Temperature: 1.200000
Total energy: -199.092426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.092426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.247587 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -54.084
Base-Backbone interact. energy: -0.003
local terms energy: -65.691245
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -177.527348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.527348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.034768 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -55.891
Base-Backbone interact. energy: -0.670
local terms energy: -52.895114
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 7.507 (S_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: 175
Temperature: 1.300000
Total energy: -173.365534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.365534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.688779 (E_RNA)
where:
Base-Base interactions energy: -124.481
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.110
local terms energy: -56.097519
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 7.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -193.970450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.970450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.015571 (E_RNA)
where:
Base-Base interactions energy: -136.196
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.035
local terms energy: -57.784267
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.045 (S_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: 176
Temperature: 0.900000
Total energy: -235.852018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.852018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.969552 (E_RNA)
where:
Base-Base interactions energy: -169.791
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.066
local terms energy: -66.112098
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -219.401737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.401737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.405623 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.310
local terms energy: -69.286053
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -210.190346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.190346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.236857 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -59.438
Base-Backbone interact. energy: 0.042
local terms energy: -63.891603
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -210.513903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.513903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.606021 (E_RNA)
where:
Base-Base interactions energy: -142.547
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.010
local terms energy: -68.049027
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -222.547123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.547123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.741436 (E_RNA)
where:
Base-Base interactions energy: -159.795
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.029
local terms energy: -62.917113
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -213.239341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.239341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.297823 (E_RNA)
where:
Base-Base interactions energy: -151.894
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.362
local terms energy: -61.041821
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.058 (S_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: 176
Temperature: 1.200000
Total energy: -201.994190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.994190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.999963 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -54.135
Base-Backbone interact. energy: -0.000
local terms energy: -62.326446
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -188.282258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.282258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.749148 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -59.300
Base-Backbone interact. energy: 0.037
local terms energy: -61.348116
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 7.467 (S_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: 176
Temperature: 1.300000
Total energy: -203.712886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.712886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.767922 (E_RNA)
where:
Base-Base interactions energy: -147.703
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.001
local terms energy: -56.063299
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -1.918
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.055 (S_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: 176
Temperature: 1.350000
Total energy: -173.278582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.555339 (E_RNA)
where:
Base-Base interactions energy: -123.781
where: short stacking energy: -49.564
Base-Backbone interact. energy: -0.091
local terms energy: -56.683367
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 7.277 (S_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: 177
Temperature: 0.900000
Total energy: -233.289837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.289837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.297996 (E_RNA)
where:
Base-Base interactions energy: -170.263
where: short stacking energy: -67.792
Base-Backbone interact. energy: 0.591
local terms energy: -63.625759
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.008 (S_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: -218.973524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.973524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.974211 (E_RNA)
where:
Base-Base interactions energy: -156.076
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.000
local terms energy: -62.897564
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -215.236408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.236408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.316280 (E_RNA)
where:
Base-Base interactions energy: -147.621
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.253
local terms energy: -67.441768
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.080 (S_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: 177
Temperature: 1.050000
Total energy: -212.338563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.338563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.528461 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.042
local terms energy: -71.491117
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.190 (S_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: 177
Temperature: 1.100000
Total energy: -210.678386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.678386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.794417 (E_RNA)
where:
Base-Base interactions energy: -147.981
where: short stacking energy: -60.006
Base-Backbone interact. energy: -0.579
local terms energy: -62.234774
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.116 (S_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: 177
Temperature: 1.150000
Total energy: -219.961922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.961922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.961922 (E_RNA)
where:
Base-Base interactions energy: -153.501
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.003
local terms energy: -66.457416
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -203.187420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.241607 (E_RNA)
where:
Base-Base interactions energy: -139.948
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.102
local terms energy: -63.191887
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.054 (S_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: 177
Temperature: 1.250000
Total energy: -196.321592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.321592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.337300 (E_RNA)
where:
Base-Base interactions energy: -140.544
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.007
local terms energy: -55.786329
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -186.113905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.113905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.963490 (E_RNA)
where:
Base-Base interactions energy: -131.549
where: short stacking energy: -60.210
Base-Backbone interact. energy: 0.748
local terms energy: -63.162864
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 7.850 (S_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: 177
Temperature: 1.350000
Total energy: -172.551457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.551457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632774 (E_RNA)
where:
Base-Base interactions energy: -123.541
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.003
local terms energy: -57.088848
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 8.081 (S_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: 178
Temperature: 0.900000
Total energy: -235.511605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.511605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.528886 (E_RNA)
where:
Base-Base interactions energy: -175.173
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.124
local terms energy: -60.231748
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -212.944265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.944265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.110235 (E_RNA)
where:
Base-Base interactions energy: -152.020
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.238
local terms energy: -60.851889
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -209.514021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.514021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604204 (E_RNA)
where:
Base-Base interactions energy: -157.804
where: short stacking energy: -61.005
Base-Backbone interact. energy: 0.373
local terms energy: -52.173386
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -219.327888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.327888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.409366 (E_RNA)
where:
Base-Base interactions energy: -161.271
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.015
local terms energy: -58.123645
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.081 (S_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: 178
Temperature: 1.100000
Total energy: -215.362817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.399697 (E_RNA)
where:
Base-Base interactions energy: -161.766
where: short stacking energy: -64.009
Base-Backbone interact. energy: -0.005
local terms energy: -53.628586
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.037 (S_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: 178
Temperature: 1.150000
Total energy: -205.877994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.877994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.878789 (E_RNA)
where:
Base-Base interactions energy: -150.077
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.069
local terms energy: -55.732782
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -207.360828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.360828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.384285 (E_RNA)
where:
Base-Base interactions energy: -144.554
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.188
local terms energy: -62.642034
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.023 (S_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: 178
Temperature: 1.250000
Total energy: -197.955250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.955250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.955250 (E_RNA)
where:
Base-Base interactions energy: -141.255
where: short stacking energy: -59.671
Base-Backbone interact. energy: -0.170
local terms energy: -56.529570
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -177.753824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.753824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.627653 (E_RNA)
where:
Base-Base interactions energy: -125.808
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.651
local terms energy: -59.168388
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: 7.874 (S_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: 178
Temperature: 1.350000
Total energy: -174.106570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.106570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.242100 (E_RNA)
where:
Base-Base interactions energy: -124.180
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.049
local terms energy: -57.013057
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 7.136 (S_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: 179
Temperature: 0.900000
Total energy: -224.691611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.691611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.806981 (E_RNA)
where:
Base-Base interactions energy: -164.353
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.756
local terms energy: -59.698484
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -232.215666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.215666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.215666 (E_RNA)
where:
Base-Base interactions energy: -176.117
where: short stacking energy: -71.171
Base-Backbone interact. energy: -0.745
local terms energy: -55.353819
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -18.886
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: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -224.071638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.071638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.115101 (E_RNA)
where:
Base-Base interactions energy: -168.553
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.087
local terms energy: -55.475265
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -221.903127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.903127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974847 (E_RNA)
where:
Base-Base interactions energy: -170.351
where: short stacking energy: -73.769
Base-Backbone interact. energy: -0.257
local terms energy: -51.367265
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: 0.133
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -207.968642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.289093 (E_RNA)
where:
Base-Base interactions energy: -142.150
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.003
local terms energy: -66.135731
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -204.576051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.576051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.622438 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.000
local terms energy: -60.664854
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.046 (S_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: 179
Temperature: 1.200000
Total energy: -206.351040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.351040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.414734 (E_RNA)
where:
Base-Base interactions energy: -144.015
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.002
local terms energy: -62.397359
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.064 (S_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: 179
Temperature: 1.250000
Total energy: -193.395175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.395175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.361116 (E_RNA)
where:
Base-Base interactions energy: -138.041
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.033
local terms energy: -63.287291
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 7.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -193.294121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.294121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.558740 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.001
local terms energy: -55.566697
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.265 (S_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: 179
Temperature: 1.350000
Total energy: -167.764814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.197768 (E_RNA)
where:
Base-Base interactions energy: -117.701
where: short stacking energy: -45.027
Base-Backbone interact. energy: 0.009
local terms energy: -57.505483
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 7.433 (S_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: 180
Temperature: 0.900000
Total energy: -233.150215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.150215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.201743 (E_RNA)
where:
Base-Base interactions energy: -173.059
where: short stacking energy: -69.133
Base-Backbone interact. energy: -1.062
local terms energy: -59.081127
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -229.857714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.857714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.879781 (E_RNA)
where:
Base-Base interactions energy: -168.242
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.662
local terms energy: -60.975931
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -211.050079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.050079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143244 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -59.513
Base-Backbone interact. energy: 0.401
local terms energy: -63.173457
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -210.755614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.755614 (E_RNA)
where:
Base-Base interactions energy: -144.046
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.001
local terms energy: -66.708340
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -208.474580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.474580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.537702 (E_RNA)
where:
Base-Base interactions energy: -145.234
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.005
local terms energy: -63.298425
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -210.922068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.060694 (E_RNA)
where:
Base-Base interactions energy: -154.706
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.079
local terms energy: -56.275427
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.139 (S_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: 180
Temperature: 1.200000
Total energy: -200.013177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.013177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.097671 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.053
local terms energy: -58.712695
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.084 (S_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: 180
Temperature: 1.250000
Total energy: -184.193940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.092503 (E_RNA)
where:
Base-Base interactions energy: -132.985
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.048
local terms energy: -59.058882
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -7.835
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 7.899 (S_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: 180
Temperature: 1.300000
Total energy: -201.236916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.236916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.412552 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.044
local terms energy: -62.214791
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.176 (S_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: 180
Temperature: 1.350000
Total energy: -169.492764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.492764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.235403 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -55.832
Base-Backbone interact. energy: -1.142
local terms energy: -52.776371
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 6.743 (S_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: 181
Temperature: 0.900000
Total energy: -240.052757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.052757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.052757 (E_RNA)
where:
Base-Base interactions energy: -174.667
where: short stacking energy: -68.065
Base-Backbone interact. energy: -0.269
local terms energy: -65.116861
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -215.928365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.928365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.972327 (E_RNA)
where:
Base-Base interactions energy: -150.821
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.117
local terms energy: -65.033912
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.044 (S_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: 181
Temperature: 1.000000
Total energy: -230.062160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.062160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.225398 (E_RNA)
where:
Base-Base interactions energy: -166.972
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.015
local terms energy: -63.238473
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -216.204189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.204189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.252267 (E_RNA)
where:
Base-Base interactions energy: -152.326
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.012
local terms energy: -63.914079
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -208.078510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.078510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.086607 (E_RNA)
where:
Base-Base interactions energy: -144.269
where: short stacking energy: -58.286
Base-Backbone interact. energy: -0.002
local terms energy: -63.815832
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.008 (S_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: -210.990651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026417 (E_RNA)
where:
Base-Base interactions energy: -147.587
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.099
local terms energy: -63.340398
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.036 (S_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: 181
Temperature: 1.200000
Total energy: -199.660060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.660060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.677785 (E_RNA)
where:
Base-Base interactions energy: -134.622
where: short stacking energy: -52.015
Base-Backbone interact. energy: -0.119
local terms energy: -64.936930
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.018 (S_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: 181
Temperature: 1.250000
Total energy: -196.703588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.703588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.739732 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.077
local terms energy: -59.642501
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.036 (S_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: 181
Temperature: 1.300000
Total energy: -172.410710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.410710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.158104 (E_RNA)
where:
Base-Base interactions energy: -122.073
where: short stacking energy: -51.586
Base-Backbone interact. energy: -0.248
local terms energy: -57.836297
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 7.747 (S_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: 181
Temperature: 1.350000
Total energy: -170.912814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.098628 (E_RNA)
where:
Base-Base interactions energy: -121.628
where: short stacking energy: -51.148
Base-Backbone interact. energy: 0.804
local terms energy: -57.274439
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 7.186 (S_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: 182
Temperature: 0.900000
Total energy: -219.184230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.184230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278009 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.011
local terms energy: -67.869558
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.094 (S_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: 182
Temperature: 0.950000
Total energy: -231.508874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.508874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.618604 (E_RNA)
where:
Base-Base interactions energy: -168.545
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.003
local terms energy: -63.071065
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.110 (S_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: 182
Temperature: 1.000000
Total energy: -232.954171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.954171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.954171 (E_RNA)
where:
Base-Base interactions energy: -174.320
where: short stacking energy: -71.093
Base-Backbone interact. energy: -0.003
local terms energy: -58.631751
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -5.273
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -212.536844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.644174 (E_RNA)
where:
Base-Base interactions energy: -152.769
where: short stacking energy: -59.069
Base-Backbone interact. energy: -0.034
local terms energy: -59.840645
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.107 (S_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: 182
Temperature: 1.100000
Total energy: -215.428576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.428576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.493655 (E_RNA)
where:
Base-Base interactions energy: -159.479
where: short stacking energy: -67.894
Base-Backbone interact. energy: 1.624
local terms energy: -57.638943
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -2.947
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -203.937023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.937023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.985057 (E_RNA)
where:
Base-Base interactions energy: -139.471
where: short stacking energy: -54.159
Base-Backbone interact. energy: -0.199
local terms energy: -64.314454
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.048 (S_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: 182
Temperature: 1.200000
Total energy: -201.944605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.944605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.074234 (E_RNA)
where:
Base-Base interactions energy: -143.255
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.000
local terms energy: -58.819272
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.130 (S_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: -208.780181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.780181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.780181 (E_RNA)
where:
Base-Base interactions energy: -155.225
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.021
local terms energy: -53.533807
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -14.671
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: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -169.779201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.779201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.427989 (E_RNA)
where:
Base-Base interactions energy: -118.943
where: short stacking energy: -47.385
Base-Backbone interact. energy: -0.085
local terms energy: -58.400573
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 7.649 (S_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: 182
Temperature: 1.350000
Total energy: -169.510358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.510358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.808725 (E_RNA)
where:
Base-Base interactions energy: -127.275
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.002
local terms energy: -49.531343
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -8.030
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 7.298 (S_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: 183
Temperature: 0.900000
Total energy: -210.256639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.256639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.289306 (E_RNA)
where:
Base-Base interactions energy: -143.750
where: short stacking energy: -57.817
Base-Backbone interact. energy: -0.005
local terms energy: -66.534385
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -231.361846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.361846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.366800 (E_RNA)
where:
Base-Base interactions energy: -165.616
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.004
local terms energy: -65.746563
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.005 (S_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: 183
Temperature: 1.000000
Total energy: -223.524022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.524022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.524022 (E_RNA)
where:
Base-Base interactions energy: -162.718
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.021
local terms energy: -60.784932
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -15.067
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: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -205.847298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.847298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859267 (E_RNA)
where:
Base-Base interactions energy: -145.037
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.010
local terms energy: -60.812992
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.012 (S_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: 183
Temperature: 1.100000
Total energy: -212.757771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.757771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.776743 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.002
local terms energy: -58.128017
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.019 (S_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: 183
Temperature: 1.150000
Total energy: -211.833070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.833070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.836093 (E_RNA)
where:
Base-Base interactions energy: -157.820
where: short stacking energy: -63.798
Base-Backbone interact. energy: -0.026
local terms energy: -53.990458
where:
bonds (distance) C4'-P energy: -6.871
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -201.699257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.699257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.791959 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.000
local terms energy: -65.417260
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.093 (S_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: 183
Temperature: 1.250000
Total energy: -200.231396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.231396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.328138 (E_RNA)
where:
Base-Base interactions energy: -143.510
where: short stacking energy: -61.542
Base-Backbone interact. energy: 0.462
local terms energy: -57.280297
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.097 (S_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: 183
Temperature: 1.300000
Total energy: -173.420207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.420207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.454779 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -51.345
Base-Backbone interact. energy: 0.215
local terms energy: -53.891690
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 8.035 (S_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: 183
Temperature: 1.350000
Total energy: -169.721182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.721182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.714634 (E_RNA)
where:
Base-Base interactions energy: -125.050
where: short stacking energy: -54.549
Base-Backbone interact. energy: -1.098
local terms energy: -52.566629
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 8.993 (S_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: 184
Temperature: 0.900000
Total energy: -235.678122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.678122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.678122 (E_RNA)
where:
Base-Base interactions energy: -167.318
where: short stacking energy: -63.535
Base-Backbone interact. energy: 0.007
local terms energy: -68.367758
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -17.614
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: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -214.741626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.741626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.748253 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.286
local terms energy: -66.238176
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -215.275083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.275083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.338878 (E_RNA)
where:
Base-Base interactions energy: -144.589
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.002
local terms energy: -70.748650
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.064 (S_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: 184
Temperature: 1.050000
Total energy: -211.319930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.319930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.334532 (E_RNA)
where:
Base-Base interactions energy: -150.685
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.623
local terms energy: -60.026980
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.015 (S_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: 184
Temperature: 1.100000
Total energy: -216.302181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.302181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306874 (E_RNA)
where:
Base-Base interactions energy: -160.416
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.003
local terms energy: -55.888465
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.005 (S_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: 184
Temperature: 1.150000
Total energy: -204.951047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.951047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077631 (E_RNA)
where:
Base-Base interactions energy: -139.637
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.175
local terms energy: -65.265598
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.127 (S_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: 184
Temperature: 1.200000
Total energy: -197.241284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.383235 (E_RNA)
where:
Base-Base interactions energy: -133.785
where: short stacking energy: -51.352
Base-Backbone interact. energy: 0.306
local terms energy: -63.904237
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -194.541765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.541765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.541765 (E_RNA)
where:
Base-Base interactions energy: -154.186
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.068
local terms energy: -40.288028
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -3.569
flat angles C4'-P-C4' energy: -7.350
flat angles P-C4'-P energy: -5.548
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: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -176.766557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.766557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.832168 (E_RNA)
where:
Base-Base interactions energy: -137.536
where: short stacking energy: -52.862
Base-Backbone interact. energy: -0.177
local terms energy: -47.118923
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 8.066 (S_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: 184
Temperature: 1.350000
Total energy: -171.961532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.961532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.051465 (E_RNA)
where:
Base-Base interactions energy: -127.923
where: short stacking energy: -59.697
Base-Backbone interact. energy: -0.014
local terms energy: -53.114192
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 9.090 (S_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: 185
Temperature: 0.900000
Total energy: -239.674939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.674939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.692681 (E_RNA)
where:
Base-Base interactions energy: -171.977
where: short stacking energy: -69.968
Base-Backbone interact. energy: 0.156
local terms energy: -67.871398
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -222.147483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.147483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.205846 (E_RNA)
where:
Base-Base interactions energy: -154.776
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.003
local terms energy: -67.427016
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -215.612658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.680981 (E_RNA)
where:
Base-Base interactions energy: -146.843
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.156
local terms energy: -68.682290
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.068 (S_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: 185
Temperature: 1.050000
Total energy: -213.850288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.850288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.862087 (E_RNA)
where:
Base-Base interactions energy: -147.303
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.001
local terms energy: -66.557207
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.012 (S_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: 185
Temperature: 1.100000
Total energy: -218.507686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.507686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.566789 (E_RNA)
where:
Base-Base interactions energy: -162.132
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.028
local terms energy: -56.406859
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -193.010182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.010182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.076551 (E_RNA)
where:
Base-Base interactions energy: -141.246
where: short stacking energy: -51.320
Base-Backbone interact. energy: 0.531
local terms energy: -52.360676
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.066 (S_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: 185
Temperature: 1.200000
Total energy: -208.720686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.720686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.723631 (E_RNA)
where:
Base-Base interactions energy: -146.801
where: short stacking energy: -64.350
Base-Backbone interact. energy: -0.002
local terms energy: -61.920763
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -203.376351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.376351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.500164 (E_RNA)
where:
Base-Base interactions energy: -136.862
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.070
local terms energy: -66.568310
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.124 (S_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: 185
Temperature: 1.300000
Total energy: -180.978764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.978764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.943050 (E_RNA)
where:
Base-Base interactions energy: -129.362
where: short stacking energy: -52.406
Base-Backbone interact. energy: -0.031
local terms energy: -59.549580
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 7.964 (S_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: 185
Temperature: 1.350000
Total energy: -179.280695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.280695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510652 (E_RNA)
where:
Base-Base interactions energy: -130.692
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.061
local terms energy: -57.757277
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -7.982
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 9.230 (S_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: 186
Temperature: 0.900000
Total energy: -221.259021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.259021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.261992 (E_RNA)
where:
Base-Base interactions energy: -150.386
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.280
local terms energy: -70.596580
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -216.660280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.660280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.671535 (E_RNA)
where:
Base-Base interactions energy: -148.561
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.006
local terms energy: -68.104122
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -213.159141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159141 (E_RNA)
where:
Base-Base interactions energy: -147.584
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.000
local terms energy: -65.575392
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -207.351812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.351812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.365184 (E_RNA)
where:
Base-Base interactions energy: -144.660
where: short stacking energy: -57.182
Base-Backbone interact. energy: 1.472
local terms energy: -64.177080
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.013 (S_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: 186
Temperature: 1.100000
Total energy: -221.358293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.358293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.380669 (E_RNA)
where:
Base-Base interactions energy: -165.390
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.050
local terms energy: -55.940622
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.022 (S_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: 186
Temperature: 1.150000
Total energy: -206.191870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.191870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.269778 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -57.709
Base-Backbone interact. energy: -0.091
local terms energy: -54.001554
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -200.913655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.913655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.080458 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -56.646
Base-Backbone interact. energy: -0.208
local terms energy: -60.139754
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -203.373070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.373070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.583795 (E_RNA)
where:
Base-Base interactions energy: -136.681
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.000
local terms energy: -66.902698
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.211 (S_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: 186
Temperature: 1.300000
Total energy: -187.661230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.661230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.481108 (E_RNA)
where:
Base-Base interactions energy: -147.899
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.008
local terms energy: -47.574263
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 7.820 (S_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: 186
Temperature: 1.350000
Total energy: -179.051439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.051439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.660240 (E_RNA)
where:
Base-Base interactions energy: -127.031
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.339
local terms energy: -61.289979
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 9.609 (S_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: 187
Temperature: 0.900000
Total energy: -217.633271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.633271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.633271 (E_RNA)
where:
Base-Base interactions energy: -153.934
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.159
local terms energy: -63.540690
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -14.347
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: 187
Temperature: 0.950000
Total energy: -214.468389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.468389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.517850 (E_RNA)
where:
Base-Base interactions energy: -157.134
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.000
local terms energy: -57.383319
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -213.866962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.866962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.940446 (E_RNA)
where:
Base-Base interactions energy: -150.309
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.043
local terms energy: -63.588902
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.073 (S_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: 187
Temperature: 1.050000
Total energy: -221.400226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.400226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.406570 (E_RNA)
where:
Base-Base interactions energy: -163.897
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.003
local terms energy: -57.506865
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.006 (S_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: 187
Temperature: 1.100000
Total energy: -214.449441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.449441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.478370 (E_RNA)
where:
Base-Base interactions energy: -148.846
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.008
local terms energy: -65.624508
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.029 (S_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: 187
Temperature: 1.150000
Total energy: -203.988162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.988162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.017538 (E_RNA)
where:
Base-Base interactions energy: -143.380
where: short stacking energy: -54.911
Base-Backbone interact. energy: 0.163
local terms energy: -60.800432
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.029 (S_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: 187
Temperature: 1.200000
Total energy: -195.788366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.788366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.788366 (E_RNA)
where:
Base-Base interactions energy: -136.930
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.208
local terms energy: -58.650687
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -202.294874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.294874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.469943 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -56.226
Base-Backbone interact. energy: -0.001
local terms energy: -62.279900
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.175 (S_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: 187
Temperature: 1.300000
Total energy: -186.255792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.255792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.533792 (E_RNA)
where:
Base-Base interactions energy: -131.996
where: short stacking energy: -54.056
Base-Backbone interact. energy: -0.621
local terms energy: -60.916357
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 7.278 (S_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: 187
Temperature: 1.350000
Total energy: -190.436633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.436633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.551674 (E_RNA)
where:
Base-Base interactions energy: -136.353
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.083
local terms energy: -61.115931
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 7.115 (S_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: 188
Temperature: 0.900000
Total energy: -214.713520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.713520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.749304 (E_RNA)
where:
Base-Base interactions energy: -151.447
where: short stacking energy: -61.200
Base-Backbone interact. energy: 0.900
local terms energy: -64.202161
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.036 (S_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: 188
Temperature: 0.950000
Total energy: -211.811291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.937905 (E_RNA)
where:
Base-Base interactions energy: -146.354
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.041
local terms energy: -65.542880
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -212.948431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.984988 (E_RNA)
where:
Base-Base interactions energy: -152.946
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.008
local terms energy: -60.030703
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.037 (S_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: 188
Temperature: 1.050000
Total energy: -208.069665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.069665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.091970 (E_RNA)
where:
Base-Base interactions energy: -148.458
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.114
local terms energy: -59.520058
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -215.647072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.647072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.875905 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.004
local terms energy: -64.662451
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. 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: -201.057642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.057642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.110457 (E_RNA)
where:
Base-Base interactions energy: -137.171
where: short stacking energy: -55.291
Base-Backbone interact. energy: -0.124
local terms energy: -63.815251
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.053 (S_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: 188
Temperature: 1.200000
Total energy: -199.557313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.557313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.676121 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.002
local terms energy: -56.807150
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.119 (S_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: 188
Temperature: 1.250000
Total energy: -197.921867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.921867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.005803 (E_RNA)
where:
Base-Base interactions energy: -139.361
where: short stacking energy: -57.046
Base-Backbone interact. energy: -0.001
local terms energy: -58.643961
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.084 (S_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: 188
Temperature: 1.300000
Total energy: -178.196138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.196138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.603366 (E_RNA)
where:
Base-Base interactions energy: -127.133
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.003
local terms energy: -58.467704
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 7.407 (S_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: 188
Temperature: 1.350000
Total energy: -178.017066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.017066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.190062 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.490
local terms energy: -56.229448
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 8.173 (S_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: 189
Temperature: 0.900000
Total energy: -215.004884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.004884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.032395 (E_RNA)
where:
Base-Base interactions energy: -144.148
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.602
local terms energy: -70.283063
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -227.071745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.071745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.100848 (E_RNA)
where:
Base-Base interactions energy: -168.423
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.649
local terms energy: -58.027974
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.029 (S_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: 189
Temperature: 1.000000
Total energy: -208.495774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.495774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.598182 (E_RNA)
where:
Base-Base interactions energy: -144.475
where: short stacking energy: -52.932
Base-Backbone interact. energy: -0.009
local terms energy: -64.114794
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -207.615726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.615726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.615726 (E_RNA)
where:
Base-Base interactions energy: -147.421
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.383
local terms energy: -59.811798
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -201.201201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.201201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260229 (E_RNA)
where:
Base-Base interactions energy: -144.227
where: short stacking energy: -60.203
Base-Backbone interact. energy: 0.429
local terms energy: -57.462199
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -1.257
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.059 (S_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: 189
Temperature: 1.150000
Total energy: -205.080095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.080095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.163104 (E_RNA)
where:
Base-Base interactions energy: -154.396
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.005
local terms energy: -50.762331
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -198.276050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.276050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.481148 (E_RNA)
where:
Base-Base interactions energy: -144.459
where: short stacking energy: -61.762
Base-Backbone interact. energy: -0.631
local terms energy: -53.390774
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -5.698
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.205 (S_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: 189
Temperature: 1.250000
Total energy: -186.572888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.572888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.204510 (E_RNA)
where:
Base-Base interactions energy: -135.770
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.697
local terms energy: -56.737529
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 6.632 (S_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: 189
Temperature: 1.300000
Total energy: -193.683043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.683043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.825950 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.094
local terms energy: -53.576159
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.143 (S_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: 189
Temperature: 1.350000
Total energy: -168.921536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.921536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.865230 (E_RNA)
where:
Base-Base interactions energy: -126.049
where: short stacking energy: -50.464
Base-Backbone interact. energy: -0.195
local terms energy: -49.620880
where:
bonds (distance) C4'-P energy: -6.664
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 6.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -231.879521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.886445 (E_RNA)
where:
Base-Base interactions energy: -171.593
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.124
local terms energy: -60.169432
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.007 (S_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: 190
Temperature: 0.950000
Total energy: -211.317674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.317674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.386349 (E_RNA)
where:
Base-Base interactions energy: -152.134
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.079
local terms energy: -59.173580
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -213.866203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.866203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.908805 (E_RNA)
where:
Base-Base interactions energy: -155.655
where: short stacking energy: -56.508
Base-Backbone interact. energy: -0.046
local terms energy: -58.207113
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.043 (S_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: 190
Temperature: 1.050000
Total energy: -219.397031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.397031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.483435 (E_RNA)
where:
Base-Base interactions energy: -162.387
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.045
local terms energy: -57.050926
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.086 (S_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: 190
Temperature: 1.100000
Total energy: -210.865495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.865495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.934004 (E_RNA)
where:
Base-Base interactions energy: -147.312
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.003
local terms energy: -63.618883
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.069 (S_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: 190
Temperature: 1.150000
Total energy: -209.202844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.202844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.229288 (E_RNA)
where:
Base-Base interactions energy: -144.353
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.001
local terms energy: -64.875849
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -214.505405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.505405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.568247 (E_RNA)
where:
Base-Base interactions energy: -153.380
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.094
local terms energy: -61.093709
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.063 (S_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: 190
Temperature: 1.250000
Total energy: -179.401137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.401137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.253443 (E_RNA)
where:
Base-Base interactions energy: -125.220
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.005
local terms energy: -61.029171
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 6.852 (S_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: 190
Temperature: 1.300000
Total energy: -189.249358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.249358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.870621 (E_RNA)
where:
Base-Base interactions energy: -135.517
where: short stacking energy: -56.227
Base-Backbone interact. energy: -0.000
local terms energy: -61.353537
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 7.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -190.893220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.893220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.931351 (E_RNA)
where:
Base-Base interactions energy: -138.272
where: short stacking energy: -51.674
Base-Backbone interact. energy: -0.054
local terms energy: -52.605816
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -234.014413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.014413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.035590 (E_RNA)
where:
Base-Base interactions energy: -169.697
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.003
local terms energy: -64.335830
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -214.666041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.666041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.776255 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.001
local terms energy: -64.306185
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -211.824537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.824537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.896052 (E_RNA)
where:
Base-Base interactions energy: -144.124
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.001
local terms energy: -67.771311
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.072 (S_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: 191
Temperature: 1.050000
Total energy: -213.632975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.632975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.699383 (E_RNA)
where:
Base-Base interactions energy: -149.590
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.000
local terms energy: -64.108986
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -223.499282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.499282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.630052 (E_RNA)
where:
Base-Base interactions energy: -161.684
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.085
local terms energy: -61.860364
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. 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: -202.201642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.301977 (E_RNA)
where:
Base-Base interactions energy: -139.293
where: short stacking energy: -54.278
Base-Backbone interact. energy: 0.304
local terms energy: -63.312891
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.100 (S_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: 191
Temperature: 1.200000
Total energy: -202.667307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.667307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.757908 (E_RNA)
where:
Base-Base interactions energy: -145.380
where: short stacking energy: -56.781
Base-Backbone interact. energy: -0.000
local terms energy: -57.377122
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.091 (S_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: 191
Temperature: 1.250000
Total energy: -188.988981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.428898 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -55.593
Base-Backbone interact. energy: -1.292
local terms energy: -57.735281
where:
bonds (distance) C4'-P energy: -6.719
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 7.440 (S_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: 191
Temperature: 1.300000
Total energy: -180.178455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.178455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.531048 (E_RNA)
where:
Base-Base interactions energy: -135.163
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.531
local terms energy: -52.837767
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 8.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -201.114988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.114988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.280850 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.089
local terms energy: -60.563570
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -229.242776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.242776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.348627 (E_RNA)
where:
Base-Base interactions energy: -163.256
where: short stacking energy: -67.883
Base-Backbone interact. energy: -0.161
local terms energy: -65.931402
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.803140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.803140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.864826 (E_RNA)
where:
Base-Base interactions energy: -151.258
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.126
local terms energy: -67.480174
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -204.780024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.780024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.807080 (E_RNA)
where:
Base-Base interactions energy: -144.145
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.198
local terms energy: -60.464541
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.027 (S_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: 192
Temperature: 1.050000
Total energy: -210.997450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.997450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.117427 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -60.395
Base-Backbone interact. energy: -0.352
local terms energy: -66.695657
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -231.094397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.094397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.148771 (E_RNA)
where:
Base-Base interactions energy: -174.274
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.003
local terms energy: -56.872069
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. 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: -198.508462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.508462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.592629 (E_RNA)
where:
Base-Base interactions energy: -145.684
where: short stacking energy: -60.447
Base-Backbone interact. energy: -0.300
local terms energy: -52.608641
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.084 (S_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: 192
Temperature: 1.200000
Total energy: -195.916671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.916671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.096522 (E_RNA)
where:
Base-Base interactions energy: -132.814
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.004
local terms energy: -63.278413
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.180 (S_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: 192
Temperature: 1.250000
Total energy: -182.451955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.451955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.746701 (E_RNA)
where:
Base-Base interactions energy: -130.543
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.003
local terms energy: -58.201043
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 6.295 (S_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: 192
Temperature: 1.300000
Total energy: -198.972639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.972639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.026338 (E_RNA)
where:
Base-Base interactions energy: -135.138
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.101
local terms energy: -63.787581
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.054 (S_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: 192
Temperature: 1.350000
Total energy: -170.020329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.046656 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.610
local terms energy: -51.370065
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -10.788
Dist. restrs. and SS energy: 8.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -238.327184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.327184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.424138 (E_RNA)
where:
Base-Base interactions energy: -173.999
where: short stacking energy: -73.493
Base-Backbone interact. energy: 0.019
local terms energy: -64.444240
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.097 (S_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: 193
Temperature: 0.950000
Total energy: -210.812704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.812704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.816227 (E_RNA)
where:
Base-Base interactions energy: -141.670
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.003
local terms energy: -69.142645
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -219.366148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.366148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.441984 (E_RNA)
where:
Base-Base interactions energy: -155.971
where: short stacking energy: -64.533
Base-Backbone interact. energy: -0.340
local terms energy: -63.130991
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.076 (S_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: 193
Temperature: 1.050000
Total energy: -212.854548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.854548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903246 (E_RNA)
where:
Base-Base interactions energy: -151.472
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.005
local terms energy: -61.426318
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -203.947568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.947568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.006474 (E_RNA)
where:
Base-Base interactions energy: -141.717
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.011
local terms energy: -62.277767
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -202.651825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.651825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.669739 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.001
local terms energy: -65.793384
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.018 (S_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: 193
Temperature: 1.200000
Total energy: -208.756463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.756463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766067 (E_RNA)
where:
Base-Base interactions energy: -141.502
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.005
local terms energy: -67.259183
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.010 (S_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: 193
Temperature: 1.250000
Total energy: -209.994497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.994497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.180502 (E_RNA)
where:
Base-Base interactions energy: -154.639
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.014
local terms energy: -55.527658
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.186 (S_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: 193
Temperature: 1.300000
Total energy: -172.078464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.078464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.376944 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.324
local terms energy: -51.570077
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -6.250
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 8.298 (S_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: 193
Temperature: 1.350000
Total energy: -170.938137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.938137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.436358 (E_RNA)
where:
Base-Base interactions energy: -126.175
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.575
local terms energy: -52.686496
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 8.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -233.099572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.099572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.208678 (E_RNA)
where:
Base-Base interactions energy: -180.332
where: short stacking energy: -73.222
Base-Backbone interact. energy: 0.058
local terms energy: -52.934352
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -0.244
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.109 (S_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: -215.256738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.256738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.318582 (E_RNA)
where:
Base-Base interactions energy: -161.402
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.016
local terms energy: -53.900818
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -230.153708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.153708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.230006 (E_RNA)
where:
Base-Base interactions energy: -166.070
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.096
local terms energy: -64.064727
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.076 (S_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: 194
Temperature: 1.050000
Total energy: -208.908297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.908297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.994504 (E_RNA)
where:
Base-Base interactions energy: -149.784
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.028
local terms energy: -59.183271
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.086 (S_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: 194
Temperature: 1.100000
Total energy: -207.659968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754768 (E_RNA)
where:
Base-Base interactions energy: -155.919
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.001
local terms energy: -51.834462
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -203.718617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.718617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.742956 (E_RNA)
where:
Base-Base interactions energy: -147.920
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.138
local terms energy: -55.685490
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.024 (S_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: 194
Temperature: 1.200000
Total energy: -199.029637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.029637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.041040 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -57.482
Base-Backbone interact. energy: -0.605
local terms energy: -54.350717
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -202.251563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.251563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251563 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -64.009
Base-Backbone interact. energy: -0.010
local terms energy: -56.541008
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.804
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: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -174.667355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.667355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.363803 (E_RNA)
where:
Base-Base interactions energy: -131.063
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.104
local terms energy: -50.196505
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 6.696 (S_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: 194
Temperature: 1.350000
Total energy: -181.227676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.227676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.468566 (E_RNA)
where:
Base-Base interactions energy: -128.255
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.002
local terms energy: -60.211782
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 7.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -237.060952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.060952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.103160 (E_RNA)
where:
Base-Base interactions energy: -179.289
where: short stacking energy: -76.229
Base-Backbone interact. energy: -0.020
local terms energy: -57.794408
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.042 (S_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: 195
Temperature: 0.950000
Total energy: -240.387715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.387715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.451141 (E_RNA)
where:
Base-Base interactions energy: -171.990
where: short stacking energy: -70.990
Base-Backbone interact. energy: -0.605
local terms energy: -67.856147
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. 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: -215.157531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.157531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.205965 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -67.106
Base-Backbone interact. energy: -0.000
local terms energy: -63.141556
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.048 (S_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: 195
Temperature: 1.050000
Total energy: -210.345309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.345309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.345309 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.029
local terms energy: -58.125197
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -7.987
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -220.987055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.987055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083643 (E_RNA)
where:
Base-Base interactions energy: -155.330
where: short stacking energy: -61.386
Base-Backbone interact. energy: -0.003
local terms energy: -65.750529
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.097 (S_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: 195
Temperature: 1.150000
Total energy: -201.655239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655239 (E_RNA)
where:
Base-Base interactions energy: -139.115
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.008
local terms energy: -62.532459
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.756
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -208.900937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.900937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.905629 (E_RNA)
where:
Base-Base interactions energy: -149.154
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.002
local terms energy: -59.749847
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -198.583295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.583295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.648654 (E_RNA)
where:
Base-Base interactions energy: -138.628
where: short stacking energy: -58.329
Base-Backbone interact. energy: -0.217
local terms energy: -59.803950
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.065 (S_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: 195
Temperature: 1.300000
Total energy: -186.341962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.341962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315023 (E_RNA)
where:
Base-Base interactions energy: -133.559
where: short stacking energy: -52.489
Base-Backbone interact. energy: -0.061
local terms energy: -59.694974
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -6.934
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 6.973 (S_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: 195
Temperature: 1.350000
Total energy: -161.076012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.076012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.386630 (E_RNA)
where:
Base-Base interactions energy: -118.442
where: short stacking energy: -53.113
Base-Backbone interact. energy: -0.090
local terms energy: -50.854192
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 8.311 (S_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: 196
Temperature: 0.900000
Total energy: -233.800760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.800760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.808259 (E_RNA)
where:
Base-Base interactions energy: -171.836
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.357
local terms energy: -61.614733
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -234.880567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.880567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.880567 (E_RNA)
where:
Base-Base interactions energy: -171.942
where: short stacking energy: -71.976
Base-Backbone interact. energy: -0.013
local terms energy: -62.924865
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -210.879243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.879243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942579 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.000
local terms energy: -66.435590
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.063 (S_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: 196
Temperature: 1.050000
Total energy: -220.666917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.666917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.689376 (E_RNA)
where:
Base-Base interactions energy: -156.620
where: short stacking energy: -69.724
Base-Backbone interact. energy: -0.042
local terms energy: -64.026608
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.022 (S_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: 196
Temperature: 1.100000
Total energy: -215.478645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.478645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.478645 (E_RNA)
where:
Base-Base interactions energy: -149.376
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.000
local terms energy: -66.102098
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -17.566
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -207.974779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.974779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.098665 (E_RNA)
where:
Base-Base interactions energy: -143.510
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.043
local terms energy: -64.546236
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.124 (S_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: 196
Temperature: 1.200000
Total energy: -203.657702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.657702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778841 (E_RNA)
where:
Base-Base interactions energy: -142.205
where: short stacking energy: -58.668
Base-Backbone interact. energy: -0.376
local terms energy: -61.198694
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.121 (S_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: 196
Temperature: 1.250000
Total energy: -199.558279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.558279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.558279 (E_RNA)
where:
Base-Base interactions energy: -146.539
where: short stacking energy: -57.683
Base-Backbone interact. energy: -0.001
local terms energy: -53.018521
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -8.165
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -174.430788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.430788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.674041 (E_RNA)
where:
Base-Base interactions energy: -130.483
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.375
local terms energy: -49.815900
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 6.243 (S_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: 196
Temperature: 1.350000
Total energy: -172.040107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.040107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.493036 (E_RNA)
where:
Base-Base interactions energy: -125.591
where: short stacking energy: -54.510
Base-Backbone interact. energy: -0.001
local terms energy: -53.900157
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -11.801
Dist. restrs. and SS energy: 7.453 (S_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: 197
Temperature: 0.900000
Total energy: -226.393869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432948 (E_RNA)
where:
Base-Base interactions energy: -157.412
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.044
local terms energy: -68.977460
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.039 (S_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: -220.140172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.140172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157457 (E_RNA)
where:
Base-Base interactions energy: -149.502
where: short stacking energy: -63.390
Base-Backbone interact. energy: 1.624
local terms energy: -72.279636
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -226.190521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.190521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.346564 (E_RNA)
where:
Base-Base interactions energy: -165.387
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.001
local terms energy: -60.958779
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.156 (S_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: 197
Temperature: 1.050000
Total energy: -209.388016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.388016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.417250 (E_RNA)
where:
Base-Base interactions energy: -147.574
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.023
local terms energy: -61.820416
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.029 (S_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: 197
Temperature: 1.100000
Total energy: -213.944670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.944670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.944670 (E_RNA)
where:
Base-Base interactions energy: -148.589
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.013
local terms energy: -65.342463
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -16.275
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: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -210.720681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.720681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.740524 (E_RNA)
where:
Base-Base interactions energy: -144.849
where: short stacking energy: -58.827
Base-Backbone interact. energy: -0.022
local terms energy: -65.869399
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.020 (S_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: 197
Temperature: 1.200000
Total energy: -206.664983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.664983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.728070 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -56.665
Base-Backbone interact. energy: -0.010
local terms energy: -60.498768
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.063 (S_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: 197
Temperature: 1.250000
Total energy: -180.884671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.884671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.877933 (E_RNA)
where:
Base-Base interactions energy: -134.379
where: short stacking energy: -53.956
Base-Backbone interact. energy: -0.148
local terms energy: -54.350932
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -6.756
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 7.993 (S_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: 197
Temperature: 1.300000
Total energy: -193.068064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.068064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.142839 (E_RNA)
where:
Base-Base interactions energy: -134.464
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.143
local terms energy: -58.536120
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.075 (S_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: 197
Temperature: 1.350000
Total energy: -180.617943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.893004 (E_RNA)
where:
Base-Base interactions energy: -127.536
where: short stacking energy: -52.862
Base-Backbone interact. energy: -1.310
local terms energy: -60.046514
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 8.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -213.002779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.002779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190643 (E_RNA)
where:
Base-Base interactions energy: -147.016
where: short stacking energy: -58.922
Base-Backbone interact. energy: 0.775
local terms energy: -66.949793
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.188 (S_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: 198
Temperature: 0.950000
Total energy: -230.828066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.828066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.859445 (E_RNA)
where:
Base-Base interactions energy: -166.650
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.000
local terms energy: -64.209644
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -225.811650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.811650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.817241 (E_RNA)
where:
Base-Base interactions energy: -166.192
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.295
local terms energy: -59.329697
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.006 (S_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: 198
Temperature: 1.050000
Total energy: -226.815136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.815136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.829318 (E_RNA)
where:
Base-Base interactions energy: -162.988
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.020
local terms energy: -63.822001
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.014 (S_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: -208.159140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.159140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.233388 (E_RNA)
where:
Base-Base interactions energy: -141.637
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.005
local terms energy: -66.591766
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -200.582609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.582609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.644159 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.089
local terms energy: -60.807745
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.062 (S_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: 198
Temperature: 1.200000
Total energy: -208.693369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.693369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.754926 (E_RNA)
where:
Base-Base interactions energy: -146.093
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.000
local terms energy: -62.661921
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.062 (S_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: 198
Temperature: 1.250000
Total energy: -182.751367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.751367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.260087 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -49.308
Base-Backbone interact. energy: -0.130
local terms energy: -58.986321
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 7.509 (S_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: 198
Temperature: 1.300000
Total energy: -174.838045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.838045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.358114 (E_RNA)
where:
Base-Base interactions energy: -129.252
where: short stacking energy: -58.147
Base-Backbone interact. energy: 0.129
local terms energy: -53.235505
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 7.520 (S_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: 198
Temperature: 1.350000
Total energy: -192.503358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.503358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.665635 (E_RNA)
where:
Base-Base interactions energy: -134.283
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.184
local terms energy: -58.198651
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -230.609917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.609917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.616602 (E_RNA)
where:
Base-Base interactions energy: -164.519
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.042
local terms energy: -66.055812
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -221.914218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.987133 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -58.658
Base-Backbone interact. energy: -0.129
local terms energy: -65.793278
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -229.801597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.801597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.815589 (E_RNA)
where:
Base-Base interactions energy: -172.888
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.000
local terms energy: -56.927349
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.014 (S_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: -206.413756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.413756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.454075 (E_RNA)
where:
Base-Base interactions energy: -142.609
where: short stacking energy: -57.832
Base-Backbone interact. energy: -0.014
local terms energy: -63.830986
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.040 (S_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: 199
Temperature: 1.100000
Total energy: -225.012864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.012864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.072190 (E_RNA)
where:
Base-Base interactions energy: -163.888
where: short stacking energy: -62.365
Base-Backbone interact. energy: -0.791
local terms energy: -60.393125
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -204.712508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.712508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.842506 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.000
local terms energy: -61.377099
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -199.074567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.074567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.214433 (E_RNA)
where:
Base-Base interactions energy: -136.038
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.026
local terms energy: -63.150845
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.140 (S_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: 199
Temperature: 1.250000
Total energy: -169.165965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.165965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.202618 (E_RNA)
where:
Base-Base interactions energy: -122.512
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.013
local terms energy: -55.677192
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 9.037 (S_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: 199
Temperature: 1.300000
Total energy: -179.108345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.108345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.634172 (E_RNA)
where:
Base-Base interactions energy: -133.846
where: short stacking energy: -57.026
Base-Backbone interact. energy: -0.005
local terms energy: -52.782272
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 7.526 (S_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: 199
Temperature: 1.350000
Total energy: -190.802291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.802291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.913221 (E_RNA)
where:
Base-Base interactions energy: -140.132
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.883
local terms energy: -49.898470
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -231.472123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.472123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.535426 (E_RNA)
where:
Base-Base interactions energy: -170.182
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.010
local terms energy: -61.343275
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -228.908524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.908524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.022115 (E_RNA)
where:
Base-Base interactions energy: -166.880
where: short stacking energy: -65.075
Base-Backbone interact. energy: -0.151
local terms energy: -61.991665
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -231.884059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.884059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.911368 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -64.788
Base-Backbone interact. energy: -0.313
local terms energy: -64.796206
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -227.843584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.843584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.884954 (E_RNA)
where:
Base-Base interactions energy: -161.442
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.004
local terms energy: -66.438750
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.041 (S_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: 200
Temperature: 1.100000
Total energy: -201.194765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.194765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.214320 (E_RNA)
where:
Base-Base interactions energy: -143.119
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.165
local terms energy: -57.930154
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.020 (S_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: 200
Temperature: 1.150000
Total energy: -206.000329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.000329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.016055 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.127
local terms energy: -59.229361
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -181.118047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.118047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.859944 (E_RNA)
where:
Base-Base interactions energy: -123.387
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.004
local terms energy: -64.469448
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 6.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -198.969838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.969838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.031067 (E_RNA)
where:
Base-Base interactions energy: -143.997
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.010
local terms energy: -55.024049
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.061 (S_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: 200
Temperature: 1.300000
Total energy: -180.754999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.754999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.724938 (E_RNA)
where:
Base-Base interactions energy: -132.611
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.014
local terms energy: -57.100233
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 8.970 (S_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: 200
Temperature: 1.350000
Total energy: -201.086219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.165057 (E_RNA)
where:
Base-Base interactions energy: -137.829
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.050
local terms energy: -63.286637
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -236.081382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.081382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.141955 (E_RNA)
where:
Base-Base interactions energy: -173.128
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.022
local terms energy: -62.991995
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.061 (S_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: 201
Temperature: 0.950000
Total energy: -232.944672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.944672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.957046 (E_RNA)
where:
Base-Base interactions energy: -169.869
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.025
local terms energy: -63.062365
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -228.072417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.072417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.127607 (E_RNA)
where:
Base-Base interactions energy: -165.966
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.006
local terms energy: -62.155786
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -211.510786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.510786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.585958 (E_RNA)
where:
Base-Base interactions energy: -150.862
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.002
local terms energy: -60.722727
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -212.943729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.943729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.050336 (E_RNA)
where:
Base-Base interactions energy: -147.316
where: short stacking energy: -61.091
Base-Backbone interact. energy: 0.189
local terms energy: -65.923842
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -182.360877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.360877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.071702 (E_RNA)
where:
Base-Base interactions energy: -133.113
where: short stacking energy: -56.645
Base-Backbone interact. energy: -3.272
local terms energy: -54.686887
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 8.711 (S_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: -205.684252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.684252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.743818 (E_RNA)
where:
Base-Base interactions energy: -136.245
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.001
local terms energy: -69.497898
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.060 (S_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: 201
Temperature: 1.250000
Total energy: -181.659159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.659159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.625151 (E_RNA)
where:
Base-Base interactions energy: -131.397
where: short stacking energy: -57.375
Base-Backbone interact. energy: -1.528
local terms energy: -57.699368
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 8.966 (S_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: 201
Temperature: 1.300000
Total energy: -189.251168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.251168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.288868 (E_RNA)
where:
Base-Base interactions energy: -132.927
where: short stacking energy: -49.432
Base-Backbone interact. energy: -0.687
local terms energy: -55.674608
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.038 (S_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: 201
Temperature: 1.350000
Total energy: -197.534376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.534376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.589154 (E_RNA)
where:
Base-Base interactions energy: -138.654
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.079
local terms energy: -58.856672
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.055 (S_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: 202
Temperature: 0.900000
Total energy: -237.994903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.994903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.079265 (E_RNA)
where:
Base-Base interactions energy: -171.797
where: short stacking energy: -73.919
Base-Backbone interact. energy: -0.044
local terms energy: -66.238486
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -227.804332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.804332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.827977 (E_RNA)
where:
Base-Base interactions energy: -167.763
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.005
local terms energy: -60.059688
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -224.725579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.725579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.760119 (E_RNA)
where:
Base-Base interactions energy: -168.774
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.232
local terms energy: -55.753150
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -3.349
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -211.370390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.370390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.487338 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -60.908
Base-Backbone interact. energy: -0.136
local terms energy: -58.481164
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -207.674122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.674122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754895 (E_RNA)
where:
Base-Base interactions energy: -143.056
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.328
local terms energy: -64.371103
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -179.455806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.455806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.138589 (E_RNA)
where:
Base-Base interactions energy: -134.591
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.592
local terms energy: -50.956264
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 6.683 (S_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: 202
Temperature: 1.200000
Total energy: -204.721324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.721324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.741244 (E_RNA)
where:
Base-Base interactions energy: -140.448
where: short stacking energy: -58.364
Base-Backbone interact. energy: -0.001
local terms energy: -64.292491
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -177.730349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.730349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.428810 (E_RNA)
where:
Base-Base interactions energy: -130.174
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.004
local terms energy: -55.251756
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 7.698 (S_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: 202
Temperature: 1.300000
Total energy: -195.666443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.666443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.697363 (E_RNA)
where:
Base-Base interactions energy: -130.933
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.081
local terms energy: -64.682831
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.031 (S_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: 202
Temperature: 1.350000
Total energy: -195.367762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.482361 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.075
local terms energy: -60.300017
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.115 (S_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: 203
Temperature: 0.900000
Total energy: -235.295676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.295676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.295676 (E_RNA)
where:
Base-Base interactions energy: -175.454
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.003
local terms energy: -59.839343
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -230.712242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.712242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.867143 (E_RNA)
where:
Base-Base interactions energy: -167.441
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.488
local terms energy: -62.938149
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -229.911747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.981622 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.002
local terms energy: -58.816877
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -216.129638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.167602 (E_RNA)
where:
Base-Base interactions energy: -150.752
where: short stacking energy: -64.416
Base-Backbone interact. energy: -0.002
local terms energy: -65.413076
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.038 (S_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: 203
Temperature: 1.100000
Total energy: -214.703641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.703641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.703650 (E_RNA)
where:
Base-Base interactions energy: -152.040
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.004
local terms energy: -62.659341
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -203.470551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.470551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.477896 (E_RNA)
where:
Base-Base interactions energy: -144.439
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.054
local terms energy: -58.984589
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.007 (S_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: 203
Temperature: 1.200000
Total energy: -190.486827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.486827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.581303 (E_RNA)
where:
Base-Base interactions energy: -145.415
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.226
local terms energy: -51.940230
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -9.350
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 7.094 (S_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: 203
Temperature: 1.250000
Total energy: -210.787576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.787576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.822237 (E_RNA)
where:
Base-Base interactions energy: -155.397
where: short stacking energy: -58.605
Base-Backbone interact. energy: -0.059
local terms energy: -55.365570
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -183.841581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.841581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.999515 (E_RNA)
where:
Base-Base interactions energy: -134.434
where: short stacking energy: -61.951
Base-Backbone interact. energy: -0.110
local terms energy: -57.455701
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 8.158 (S_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: 203
Temperature: 1.350000
Total energy: -196.731363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.731363 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -61.558
Base-Backbone interact. energy: -0.069
local terms energy: -54.058009
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -227.836211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.836211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.859554 (E_RNA)
where:
Base-Base interactions energy: -170.289
where: short stacking energy: -69.600
Base-Backbone interact. energy: -0.115
local terms energy: -57.455264
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.023 (S_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: 204
Temperature: 0.950000
Total energy: -222.066261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.066261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.077056 (E_RNA)
where:
Base-Base interactions energy: -164.464
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.299
local terms energy: -57.313485
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -217.025996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.025996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.122768 (E_RNA)
where:
Base-Base interactions energy: -161.945
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.001
local terms energy: -55.177127
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.097 (S_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: 204
Temperature: 1.050000
Total energy: -205.884626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.918122 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -59.729
Base-Backbone interact. energy: 0.040
local terms energy: -61.501728
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.033 (S_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: 204
Temperature: 1.100000
Total energy: -206.770908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.770908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.838264 (E_RNA)
where:
Base-Base interactions energy: -145.699
where: short stacking energy: -64.027
Base-Backbone interact. energy: 0.756
local terms energy: -61.894972
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.067 (S_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: 204
Temperature: 1.150000
Total energy: -206.748516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.748516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.753271 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.000
local terms energy: -61.404717
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -197.853790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.853790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.853986 (E_RNA)
where:
Base-Base interactions energy: -151.347
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.045
local terms energy: -46.462555
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -1.786
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -176.052889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.052889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.600163 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -51.489
Base-Backbone interact. energy: -1.464
local terms energy: -59.775445
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 8.547 (S_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: 204
Temperature: 1.300000
Total energy: -191.246947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.246947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.416929 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.160
local terms energy: -62.372497
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.170 (S_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: 204
Temperature: 1.350000
Total energy: -178.456118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.246483 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -52.350
Base-Backbone interact. energy: -0.817
local terms energy: -57.374306
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 5.790 (S_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: 205
Temperature: 0.900000
Total energy: -219.687363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.687363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.695370 (E_RNA)
where:
Base-Base interactions energy: -160.315
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.060
local terms energy: -59.320485
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -220.877471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.877471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.894809 (E_RNA)
where:
Base-Base interactions energy: -160.211
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.244
local terms energy: -60.439706
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. 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: -222.527681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.527681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.592671 (E_RNA)
where:
Base-Base interactions energy: -157.209
where: short stacking energy: -64.337
Base-Backbone interact. energy: -0.001
local terms energy: -65.382550
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.065 (S_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: 205
Temperature: 1.050000
Total energy: -211.386596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.386596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.445727 (E_RNA)
where:
Base-Base interactions energy: -152.869
where: short stacking energy: -58.931
Base-Backbone interact. energy: -0.035
local terms energy: -58.541943
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.059 (S_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: 205
Temperature: 1.100000
Total energy: -208.494079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.494079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.577616 (E_RNA)
where:
Base-Base interactions energy: -144.575
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.021
local terms energy: -63.981876
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.084 (S_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: 205
Temperature: 1.150000
Total energy: -209.919202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.919202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.957617 (E_RNA)
where:
Base-Base interactions energy: -158.217
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.425
local terms energy: -51.314752
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.038 (S_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: 205
Temperature: 1.200000
Total energy: -198.536148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.536148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562774 (E_RNA)
where:
Base-Base interactions energy: -141.451
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.579
local terms energy: -56.532867
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -202.537774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.537774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722754 (E_RNA)
where:
Base-Base interactions energy: -143.533
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.031
local terms energy: -59.158806
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.185 (S_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: 205
Temperature: 1.300000
Total energy: -184.008178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.008178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.987417 (E_RNA)
where:
Base-Base interactions energy: -130.802
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.151
local terms energy: -60.034703
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 6.979 (S_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: 205
Temperature: 1.350000
Total energy: -171.074686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.074686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.964812 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.107
local terms energy: -60.070430
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 5.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -224.847811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.847811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.856087 (E_RNA)
where:
Base-Base interactions energy: -163.387
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.414
local terms energy: -61.055498
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.008 (S_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: 206
Temperature: 0.950000
Total energy: -218.067613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.067613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129249 (E_RNA)
where:
Base-Base interactions energy: -146.606
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.122
local terms energy: -71.401357
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.062 (S_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: 206
Temperature: 1.000000
Total energy: -213.317484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.317484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413702 (E_RNA)
where:
Base-Base interactions energy: -157.834
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.014
local terms energy: -55.565594
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. 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: -208.321353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.321353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.419357 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.001
local terms energy: -66.912161
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -220.037806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.037806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136323 (E_RNA)
where:
Base-Base interactions energy: -159.832
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.507
local terms energy: -59.797260
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.099 (S_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: 206
Temperature: 1.150000
Total energy: -213.877911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.877911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911971 (E_RNA)
where:
Base-Base interactions energy: -148.334
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.429
local terms energy: -65.148808
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -200.627283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.627283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.643638 (E_RNA)
where:
Base-Base interactions energy: -136.188
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.162
local terms energy: -64.293415
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -198.763860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.826058 (E_RNA)
where:
Base-Base interactions energy: -139.430
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.193
local terms energy: -59.203822
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.062 (S_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: 206
Temperature: 1.300000
Total energy: -181.531376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.531376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.218380 (E_RNA)
where:
Base-Base interactions energy: -127.983
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.904
local terms energy: -61.332098
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 8.687 (S_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: 206
Temperature: 1.350000
Total energy: -176.063168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.063168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606751 (E_RNA)
where:
Base-Base interactions energy: -124.050
where: short stacking energy: -50.001
Base-Backbone interact. energy: 2.419
local terms energy: -60.976418
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 6.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -218.053993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.053993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.094520 (E_RNA)
where:
Base-Base interactions energy: -149.936
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.004
local terms energy: -68.155118
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -221.511701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.511701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.511701 (E_RNA)
where:
Base-Base interactions energy: -155.570
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.008
local terms energy: -65.933688
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -10.534
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: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -206.471385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.471385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.533508 (E_RNA)
where:
Base-Base interactions energy: -143.124
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.238
local terms energy: -63.172107
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.062 (S_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: 207
Temperature: 1.050000
Total energy: -224.434655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.434655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.569087 (E_RNA)
where:
Base-Base interactions energy: -166.204
where: short stacking energy: -66.709
Base-Backbone interact. energy: -0.014
local terms energy: -58.350701
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -205.003913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.003913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.108824 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -55.528
Base-Backbone interact. energy: -0.579
local terms energy: -66.886968
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.105 (S_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: 207
Temperature: 1.150000
Total energy: -207.177687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.177687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.177687 (E_RNA)
where:
Base-Base interactions energy: -152.631
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.420
local terms energy: -54.125939
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -199.265471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.265471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.369957 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -64.231
Base-Backbone interact. energy: -0.086
local terms energy: -56.670622
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. 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: -197.757968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.757968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.819148 (E_RNA)
where:
Base-Base interactions energy: -136.750
where: short stacking energy: -54.110
Base-Backbone interact. energy: 0.011
local terms energy: -61.080020
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.061 (S_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: 207
Temperature: 1.300000
Total energy: -178.935958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.935958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.318078 (E_RNA)
where:
Base-Base interactions energy: -127.690
where: short stacking energy: -49.396
Base-Backbone interact. energy: -0.910
local terms energy: -57.717642
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 7.382 (S_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: 207
Temperature: 1.350000
Total energy: -172.194075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.194075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667436 (E_RNA)
where:
Base-Base interactions energy: -122.247
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.782
local terms energy: -55.638468
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -4.746
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 6.473 (S_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: -220.715606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.715606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.727643 (E_RNA)
where:
Base-Base interactions energy: -154.328
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.008
local terms energy: -66.391431
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -215.010884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.010884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.068783 (E_RNA)
where:
Base-Base interactions energy: -150.894
where: short stacking energy: -60.300
Base-Backbone interact. energy: -0.065
local terms energy: -64.109403
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.058 (S_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: 208
Temperature: 1.000000
Total energy: -218.106461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.106461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.116314 (E_RNA)
where:
Base-Base interactions energy: -162.849
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.043
local terms energy: -55.225095
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.010 (S_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: 208
Temperature: 1.050000
Total energy: -209.583446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.583446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.583446 (E_RNA)
where:
Base-Base interactions energy: -150.309
where: short stacking energy: -53.833
Base-Backbone interact. energy: -0.346
local terms energy: -58.928665
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -13.049
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: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -207.644391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.644391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.888923 (E_RNA)
where:
Base-Base interactions energy: -149.650
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.005
local terms energy: -58.233073
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -212.174557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.178815 (E_RNA)
where:
Base-Base interactions energy: -152.725
where: short stacking energy: -64.254
Base-Backbone interact. energy: 0.019
local terms energy: -59.472444
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -215.882636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.902258 (E_RNA)
where:
Base-Base interactions energy: -153.545
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.049
local terms energy: -62.308518
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -1.983
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -196.608752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.608752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.638143 (E_RNA)
where:
Base-Base interactions energy: -146.347
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.016
local terms energy: -50.274523
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -10.115
Dist. restrs. and SS energy: 0.029 (S_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: 208
Temperature: 1.300000
Total energy: -179.937892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.937892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.138645 (E_RNA)
where:
Base-Base interactions energy: -123.909
where: short stacking energy: -54.790
Base-Backbone interact. energy: -0.031
local terms energy: -64.199088
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 8.201 (S_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: 208
Temperature: 1.350000
Total energy: -186.680722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.680722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816308 (E_RNA)
where:
Base-Base interactions energy: -136.540
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.382
local terms energy: -56.894652
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 7.136 (S_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: -223.143535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.143535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.149875 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.280
local terms energy: -68.512351
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.006 (S_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: 209
Temperature: 0.950000
Total energy: -215.670244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.670244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.715852 (E_RNA)
where:
Base-Base interactions energy: -149.656
where: short stacking energy: -64.412
Base-Backbone interact. energy: 0.312
local terms energy: -66.371911
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -218.683280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.683280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729775 (E_RNA)
where:
Base-Base interactions energy: -157.577
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.154
local terms energy: -60.998800
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.046 (S_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: -220.027517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.027517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.071373 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -64.710
Base-Backbone interact. energy: 2.124
local terms energy: -64.503815
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -199.151836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.151836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.183561 (E_RNA)
where:
Base-Base interactions energy: -137.902
where: short stacking energy: -53.650
Base-Backbone interact. energy: -0.044
local terms energy: -61.237336
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.032 (S_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: 209
Temperature: 1.150000
Total energy: -218.337862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.337862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.455502 (E_RNA)
where:
Base-Base interactions energy: -158.679
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.522
local terms energy: -59.253861
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -204.878456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.878456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.923956 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.061
local terms energy: -56.219058
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.045 (S_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: 209
Temperature: 1.250000
Total energy: -178.527321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.527321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.855080 (E_RNA)
where:
Base-Base interactions energy: -128.958
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.007
local terms energy: -55.890033
where:
bonds (distance) C4'-P energy: -6.074
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 6.328 (S_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: 209
Temperature: 1.300000
Total energy: -192.483087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.483087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.576358 (E_RNA)
where:
Base-Base interactions energy: -133.436
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.133
local terms energy: -59.007219
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -8.888
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.093 (S_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: 209
Temperature: 1.350000
Total energy: -180.795144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.795144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.498147 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.006
local terms energy: -53.302323
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -2.320
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 7.703 (S_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: 210
Temperature: 0.900000
Total energy: -218.543245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.543245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.544220 (E_RNA)
where:
Base-Base interactions energy: -154.070
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.098
local terms energy: -64.376142
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.001 (S_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: -219.101419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.101419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.177431 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -66.201
Base-Backbone interact. energy: -0.001
local terms energy: -67.930614
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.076 (S_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: -218.369074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.369074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.483830 (E_RNA)
where:
Base-Base interactions energy: -155.119
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.150
local terms energy: -63.214839
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -219.753883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.753883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.770954 (E_RNA)
where:
Base-Base interactions energy: -160.964
where: short stacking energy: -62.550
Base-Backbone interact. energy: 0.343
local terms energy: -59.149980
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.017 (S_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: 210
Temperature: 1.100000
Total energy: -206.318336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.318336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.353265 (E_RNA)
where:
Base-Base interactions energy: -141.949
where: short stacking energy: -59.820
Base-Backbone interact. energy: -0.133
local terms energy: -64.271378
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.035 (S_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: -201.481633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.481633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.511611 (E_RNA)
where:
Base-Base interactions energy: -147.344
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.014
local terms energy: -54.153452
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -6.207
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -201.837368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.837368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.837368 (E_RNA)
where:
Base-Base interactions energy: -138.942
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.001
local terms energy: -62.894921
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.960
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: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -185.348347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.348347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.176422 (E_RNA)
where:
Base-Base interactions energy: -134.113
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.008
local terms energy: -58.055607
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -4.176
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 6.828 (S_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: 210
Temperature: 1.300000
Total energy: -191.813370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.813370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.822473 (E_RNA)
where:
Base-Base interactions energy: -130.566
where: short stacking energy: -53.352
Base-Backbone interact. energy: -0.036
local terms energy: -61.220168
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.009 (S_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: 210
Temperature: 1.350000
Total energy: -183.393917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.393917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.011490 (E_RNA)
where:
Base-Base interactions energy: -127.118
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.156
local terms energy: -62.737859
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 6.618 (S_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: 211
Temperature: 0.900000
Total energy: -218.485384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.485384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.651732 (E_RNA)
where:
Base-Base interactions energy: -155.780
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.282
local terms energy: -62.589931
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.166 (S_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: -225.456391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.456391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.462535 (E_RNA)
where:
Base-Base interactions energy: -158.749
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.005
local terms energy: -66.708691
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. 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: -208.554403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.554403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.606625 (E_RNA)
where:
Base-Base interactions energy: -146.223
where: short stacking energy: -55.613
Base-Backbone interact. energy: 0.325
local terms energy: -62.708796
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -212.700614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.756671 (E_RNA)
where:
Base-Base interactions energy: -150.295
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.001
local terms energy: -62.460295
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.056 (S_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: 211
Temperature: 1.100000
Total energy: -217.634141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.634141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.679859 (E_RNA)
where:
Base-Base interactions energy: -156.700
where: short stacking energy: -63.200
Base-Backbone interact. energy: -0.001
local terms energy: -60.978363
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.046 (S_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: 211
Temperature: 1.150000
Total energy: -203.313727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.313727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431678 (E_RNA)
where:
Base-Base interactions energy: -136.324
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.022
local terms energy: -67.086092
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.118 (S_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: 211
Temperature: 1.200000
Total energy: -197.625222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.625222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.732399 (E_RNA)
where:
Base-Base interactions energy: -134.902
where: short stacking energy: -51.347
Base-Backbone interact. energy: -0.001
local terms energy: -62.829343
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -197.330118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.330118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.344968 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.197
local terms energy: -56.022848
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.015 (S_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: 211
Temperature: 1.300000
Total energy: -186.278212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.278212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.204687 (E_RNA)
where:
Base-Base interactions energy: -133.648
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.004
local terms energy: -60.552568
where:
bonds (distance) C4'-P energy: -5.016
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 7.926 (S_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: 211
Temperature: 1.350000
Total energy: -176.802614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.802614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.291268 (E_RNA)
where:
Base-Base interactions energy: -137.720
where: short stacking energy: -56.800
Base-Backbone interact. energy: 0.969
local terms energy: -48.540368
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -7.379
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 8.489 (S_DIST_RNA)
chem. 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: -223.584070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.584070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.709488 (E_RNA)
where:
Base-Base interactions energy: -160.158
where: short stacking energy: -63.874
Base-Backbone interact. energy: 0.203
local terms energy: -63.754197
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -212.571914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.571914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.571914 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.041
local terms energy: -68.873953
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -211.109091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.109091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.135195 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.006
local terms energy: -63.763603
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.026 (S_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: 212
Temperature: 1.050000
Total energy: -217.781153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.781153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.781153 (E_RNA)
where:
Base-Base interactions energy: -157.847
where: short stacking energy: -59.568
Base-Backbone interact. energy: -0.164
local terms energy: -59.769697
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -209.684999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.684999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.686564 (E_RNA)
where:
Base-Base interactions energy: -144.585
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.105
local terms energy: -64.997186
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.002 (S_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: 212
Temperature: 1.150000
Total energy: -211.036371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.036371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045509 (E_RNA)
where:
Base-Base interactions energy: -148.308
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.000
local terms energy: -62.737796
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -203.141868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.141868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.146477 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.669
local terms energy: -56.192643
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.005 (S_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: 212
Temperature: 1.250000
Total energy: -199.462366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.462366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.559410 (E_RNA)
where:
Base-Base interactions energy: -137.064
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.004
local terms energy: -62.491259
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.097 (S_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: 212
Temperature: 1.300000
Total energy: -177.455039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.455039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.163078 (E_RNA)
where:
Base-Base interactions energy: -135.413
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.571
local terms energy: -49.179414
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -7.617
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 7.708 (S_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: 212
Temperature: 1.350000
Total energy: -185.647807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.647807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.910828 (E_RNA)
where:
Base-Base interactions energy: -136.608
where: short stacking energy: -61.202
Base-Backbone interact. energy: -0.450
local terms energy: -57.852334
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 9.263 (S_DIST_RNA)
chem. 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: -218.651327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.651327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.735447 (E_RNA)
where:
Base-Base interactions energy: -152.719
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.085
local terms energy: -65.931634
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.084 (S_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: 213
Temperature: 0.950000
Total energy: -215.362119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.362119 (E_RNA)
where:
Base-Base interactions energy: -152.484
where: short stacking energy: -69.267
Base-Backbone interact. energy: 0.661
local terms energy: -63.538947
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -15.825
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: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -208.372767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.372767 (E_RNA)
where:
Base-Base interactions energy: -152.588
where: short stacking energy: -55.881
Base-Backbone interact. energy: -0.100
local terms energy: -55.684895
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -1.566
tors. eta vs tors. theta energy: -14.621
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: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -213.042967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.042967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.110301 (E_RNA)
where:
Base-Base interactions energy: -155.637
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.281
local terms energy: -57.192219
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.067 (S_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: 213
Temperature: 1.100000
Total energy: -210.123259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.123259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.202975 (E_RNA)
where:
Base-Base interactions energy: -142.517
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.037
local terms energy: -67.648663
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.080 (S_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: 213
Temperature: 1.150000
Total energy: -209.632716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.697303 (E_RNA)
where:
Base-Base interactions energy: -148.971
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.292
local terms energy: -60.434858
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -210.461554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.461554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654281 (E_RNA)
where:
Base-Base interactions energy: -144.095
where: short stacking energy: -56.575
Base-Backbone interact. energy: -1.196
local terms energy: -65.363945
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.193 (S_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: 213
Temperature: 1.250000
Total energy: -202.001940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.001940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.117879 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.580
local terms energy: -52.893851
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -172.017735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.017735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.945379 (E_RNA)
where:
Base-Base interactions energy: -125.119
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.059
local terms energy: -54.767155
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 7.928 (S_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: 213
Temperature: 1.350000
Total energy: -174.629407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.838654 (E_RNA)
where:
Base-Base interactions energy: -118.467
where: short stacking energy: -47.517
Base-Backbone interact. energy: -0.005
local terms energy: -63.367113
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 7.209 (S_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: 214
Temperature: 0.900000
Total energy: -218.326212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.326212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.401931 (E_RNA)
where:
Base-Base interactions energy: -151.320
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.041
local terms energy: -67.041085
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.076 (S_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: -228.736054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.736054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.782363 (E_RNA)
where:
Base-Base interactions energy: -171.093
where: short stacking energy: -69.469
Base-Backbone interact. energy: 0.898
local terms energy: -58.587869
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: 1.500
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -211.901289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.901289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.943316 (E_RNA)
where:
Base-Base interactions energy: -147.112
where: short stacking energy: -58.444
Base-Backbone interact. energy: -0.090
local terms energy: -64.740546
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.042 (S_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: 214
Temperature: 1.050000
Total energy: -204.595835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.595835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.737414 (E_RNA)
where:
Base-Base interactions energy: -147.507
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.175
local terms energy: -57.055042
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.142 (S_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: 214
Temperature: 1.100000
Total energy: -207.511945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.511945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.524946 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.116
local terms energy: -65.721836
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.013 (S_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: 214
Temperature: 1.150000
Total energy: -213.496367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.496367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.547541 (E_RNA)
where:
Base-Base interactions energy: -159.264
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.012
local terms energy: -54.271773
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.051 (S_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: 214
Temperature: 1.200000
Total energy: -199.727808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.727808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.727808 (E_RNA)
where:
Base-Base interactions energy: -146.601
where: short stacking energy: -64.157
Base-Backbone interact. energy: -0.131
local terms energy: -52.995837
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -8.024
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -200.516320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.516320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.680092 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -54.513
Base-Backbone interact. energy: -0.825
local terms energy: -61.160484
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.164 (S_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: 214
Temperature: 1.300000
Total energy: -174.573246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.573246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.103085 (E_RNA)
where:
Base-Base interactions energy: -125.024
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.043
local terms energy: -57.036003
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 7.530 (S_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: 214
Temperature: 1.350000
Total energy: -175.255261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.255261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.731421 (E_RNA)
where:
Base-Base interactions energy: -126.217
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.452
local terms energy: -57.061732
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 8.476 (S_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: 215
Temperature: 0.900000
Total energy: -215.929615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006307 (E_RNA)
where:
Base-Base interactions energy: -146.720
where: short stacking energy: -56.183
Base-Backbone interact. energy: -0.001
local terms energy: -69.285442
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.077 (S_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: 215
Temperature: 0.950000
Total energy: -216.994344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.994344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139413 (E_RNA)
where:
Base-Base interactions energy: -147.556
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.013
local terms energy: -69.570175
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -217.945262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.945262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.045792 (E_RNA)
where:
Base-Base interactions energy: -162.806
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.046
local terms energy: -55.194123
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.101 (S_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: 215
Temperature: 1.050000
Total energy: -211.849601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.849601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.860123 (E_RNA)
where:
Base-Base interactions energy: -149.070
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.009
local terms energy: -62.781684
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.011 (S_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: 215
Temperature: 1.100000
Total energy: -218.313233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.313233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.370367 (E_RNA)
where:
Base-Base interactions energy: -164.216
where: short stacking energy: -64.338
Base-Backbone interact. energy: 0.077
local terms energy: -54.230932
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.057 (S_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: 215
Temperature: 1.150000
Total energy: -196.390882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.390882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.390882 (E_RNA)
where:
Base-Base interactions energy: -143.401
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.346
local terms energy: -52.643533
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -10.440
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: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -198.021832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.021832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.070557 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.055
local terms energy: -52.556494
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.049 (S_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: 215
Temperature: 1.250000
Total energy: -180.629683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.629683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.495947 (E_RNA)
where:
Base-Base interactions energy: -133.146
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.012
local terms energy: -55.338299
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 7.866 (S_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: 215
Temperature: 1.300000
Total energy: -195.467470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.467470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.581744 (E_RNA)
where:
Base-Base interactions energy: -136.123
where: short stacking energy: -59.723
Base-Backbone interact. energy: -0.209
local terms energy: -59.249558
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.114 (S_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: 215
Temperature: 1.350000
Total energy: -177.436892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.436892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.437966 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -55.566
Base-Backbone interact. energy: 0.829
local terms energy: -55.209684
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 8.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -217.543091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.543091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.550726 (E_RNA)
where:
Base-Base interactions energy: -154.202
where: short stacking energy: -64.542
Base-Backbone interact. energy: 0.481
local terms energy: -63.829544
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.008 (S_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: 216
Temperature: 0.950000
Total energy: -220.360834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.360834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.517740 (E_RNA)
where:
Base-Base interactions energy: -151.291
where: short stacking energy: -64.454
Base-Backbone interact. energy: -0.211
local terms energy: -69.016014
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -216.907281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.907281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.948230 (E_RNA)
where:
Base-Base interactions energy: -152.506
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.055
local terms energy: -64.386388
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.041 (S_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: 216
Temperature: 1.050000
Total energy: -211.076144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141882 (E_RNA)
where:
Base-Base interactions energy: -141.396
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.634
local terms energy: -69.111640
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.066 (S_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: 216
Temperature: 1.100000
Total energy: -202.040363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.040363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.156136 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.013
local terms energy: -64.794641
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.116 (S_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: 216
Temperature: 1.150000
Total energy: -212.779120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.779120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.793644 (E_RNA)
where:
Base-Base interactions energy: -158.214
where: short stacking energy: -64.486
Base-Backbone interact. energy: -0.015
local terms energy: -54.564815
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: 0.634
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -182.314094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.314094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634290 (E_RNA)
where:
Base-Base interactions energy: -134.218
where: short stacking energy: -54.959
Base-Backbone interact. energy: -0.079
local terms energy: -54.337399
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 6.320 (S_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: 216
Temperature: 1.250000
Total energy: -207.187492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.187492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261934 (E_RNA)
where:
Base-Base interactions energy: -138.479
where: short stacking energy: -50.616
Base-Backbone interact. energy: -0.162
local terms energy: -68.620820
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.074 (S_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: 216
Temperature: 1.300000
Total energy: -174.277447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.277447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.282226 (E_RNA)
where:
Base-Base interactions energy: -123.708
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.417
local terms energy: -60.157432
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 10.005 (S_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: 216
Temperature: 1.350000
Total energy: -192.836462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.836462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.979555 (E_RNA)
where:
Base-Base interactions energy: -135.127
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.001
local terms energy: -57.851915
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -213.569639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.569639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.571331 (E_RNA)
where:
Base-Base interactions energy: -148.119
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.011
local terms energy: -65.441478
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -220.782908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.782908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.808135 (E_RNA)
where:
Base-Base interactions energy: -148.751
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.001
local terms energy: -72.056121
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -218.823060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.823060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.839040 (E_RNA)
where:
Base-Base interactions energy: -150.309
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.001
local terms energy: -68.528715
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.016 (S_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: 217
Temperature: 1.050000
Total energy: -216.273880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.273880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.273880 (E_RNA)
where:
Base-Base interactions energy: -156.840
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.201
local terms energy: -59.233078
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -204.283350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.283350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.283350 (E_RNA)
where:
Base-Base interactions energy: -142.583
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.006
local terms energy: -61.694656
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -14.255
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: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -205.584726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.584726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.789621 (E_RNA)
where:
Base-Base interactions energy: -142.945
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.000
local terms energy: -62.844564
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.205 (S_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: 217
Temperature: 1.200000
Total energy: -184.294416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.294416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.911555 (E_RNA)
where:
Base-Base interactions energy: -133.342
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.016
local terms energy: -58.553218
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 7.617 (S_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: 217
Temperature: 1.250000
Total energy: -186.226341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.095482 (E_RNA)
where:
Base-Base interactions energy: -137.068
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.003
local terms energy: -56.024212
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 6.869 (S_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: 217
Temperature: 1.300000
Total energy: -194.371550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.510244 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -56.317
Base-Backbone interact. energy: -0.002
local terms energy: -59.222663
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.139 (S_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: 217
Temperature: 1.350000
Total energy: -191.572969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.614190 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -55.847
Base-Backbone interact. energy: 2.560
local terms energy: -55.176348
where:
bonds (distance) C4'-P energy: -7.081
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -216.122930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.122930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202815 (E_RNA)
where:
Base-Base interactions energy: -152.088
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.104
local terms energy: -64.010499
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -222.593220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.593220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.659918 (E_RNA)
where:
Base-Base interactions energy: -158.987
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.000
local terms energy: -63.672570
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -215.915411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.915411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.915411 (E_RNA)
where:
Base-Base interactions energy: -148.062
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.122
local terms energy: -67.731677
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -212.263996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.263996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356407 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -60.185
Base-Backbone interact. energy: -0.006
local terms energy: -63.375092
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.092 (S_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: 218
Temperature: 1.100000
Total energy: -210.268177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.530512 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.127
local terms energy: -69.005898
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.262 (S_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: 218
Temperature: 1.150000
Total energy: -205.647954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.647954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.694611 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.073
local terms energy: -63.057555
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.047 (S_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: 218
Temperature: 1.200000
Total energy: -184.112154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.112154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.700688 (E_RNA)
where:
Base-Base interactions energy: -129.379
where: short stacking energy: -54.954
Base-Backbone interact. energy: -0.447
local terms energy: -60.874554
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 6.589 (S_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: 218
Temperature: 1.250000
Total energy: -179.245000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.245000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.985374 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -47.418
Base-Backbone interact. energy: 0.364
local terms energy: -55.395864
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 7.740 (S_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: 218
Temperature: 1.300000
Total energy: -201.248471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.248471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.330363 (E_RNA)
where:
Base-Base interactions energy: -139.022
where: short stacking energy: -56.753
Base-Backbone interact. energy: 0.147
local terms energy: -62.455431
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -187.687813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.687813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.735798 (E_RNA)
where:
Base-Base interactions energy: -129.465
where: short stacking energy: -44.678
Base-Backbone interact. energy: -0.087
local terms energy: -58.183606
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -225.528217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.604610 (E_RNA)
where:
Base-Base interactions energy: -161.938
where: short stacking energy: -63.186
Base-Backbone interact. energy: -0.825
local terms energy: -62.842096
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.076 (S_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: 219
Temperature: 0.950000
Total energy: -223.913652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.913652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.025757 (E_RNA)
where:
Base-Base interactions energy: -157.077
where: short stacking energy: -62.438
Base-Backbone interact. energy: -0.007
local terms energy: -66.942612
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -220.568189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.568189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.590626 (E_RNA)
where:
Base-Base interactions energy: -154.929
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.016
local terms energy: -65.646055
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.022 (S_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: 219
Temperature: 1.050000
Total energy: -209.007756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.007756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071475 (E_RNA)
where:
Base-Base interactions energy: -150.200
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.108
local terms energy: -58.763914
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.064 (S_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: -212.306771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.363191 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.251
local terms energy: -62.595606
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.056 (S_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: 219
Temperature: 1.150000
Total energy: -184.606554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.606554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.492124 (E_RNA)
where:
Base-Base interactions energy: -133.496
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.041
local terms energy: -58.955038
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 7.886 (S_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: -204.845380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.845380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.900446 (E_RNA)
where:
Base-Base interactions energy: -141.359
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.007
local terms energy: -63.534521
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.055 (S_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: 219
Temperature: 1.250000
Total energy: -191.294547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.294547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.666644 (E_RNA)
where:
Base-Base interactions energy: -136.664
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.002
local terms energy: -61.000537
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -9.615
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 6.372 (S_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: 219
Temperature: 1.300000
Total energy: -195.021557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.021557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.065678 (E_RNA)
where:
Base-Base interactions energy: -140.100
where: short stacking energy: -52.807
Base-Backbone interact. energy: 0.874
local terms energy: -55.839927
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -192.740616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.740616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783631 (E_RNA)
where:
Base-Base interactions energy: -139.634
where: short stacking energy: -52.751
Base-Backbone interact. energy: 1.524
local terms energy: -54.674055
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -223.924060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.924060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.971257 (E_RNA)
where:
Base-Base interactions energy: -164.162
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.299
local terms energy: -59.510603
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.047 (S_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: -217.119036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.119036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.119036 (E_RNA)
where:
Base-Base interactions energy: -149.614
where: short stacking energy: -58.200
Base-Backbone interact. energy: -0.412
local terms energy: -67.093139
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -214.258467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.258467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.268716 (E_RNA)
where:
Base-Base interactions energy: -145.224
where: short stacking energy: -58.847
Base-Backbone interact. energy: -0.000
local terms energy: -69.044506
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.010 (S_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: 220
Temperature: 1.050000
Total energy: -218.740623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.740623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.742610 (E_RNA)
where:
Base-Base interactions energy: -156.942
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.291
local terms energy: -61.509447
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.002 (S_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: 220
Temperature: 1.100000
Total energy: -212.532782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.532782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276068 (E_RNA)
where:
Base-Base interactions energy: -151.448
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.001
local terms energy: -68.827421
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 7.743 (S_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: 220
Temperature: 1.150000
Total energy: -202.603262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.603262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.814173 (E_RNA)
where:
Base-Base interactions energy: -141.609
where: short stacking energy: -61.001
Base-Backbone interact. energy: 0.001
local terms energy: -61.205638
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.211 (S_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: 220
Temperature: 1.200000
Total energy: -198.470015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.470015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.545877 (E_RNA)
where:
Base-Base interactions energy: -138.047
where: short stacking energy: -57.863
Base-Backbone interact. energy: 0.023
local terms energy: -60.522144
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -181.767816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.767816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261104 (E_RNA)
where:
Base-Base interactions energy: -130.540
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.002
local terms energy: -58.719096
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 7.493 (S_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: -198.660008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.660008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.702906 (E_RNA)
where:
Base-Base interactions energy: -138.822
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.002
local terms energy: -59.879119
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.043 (S_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: -203.091178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.091178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.234346 (E_RNA)
where:
Base-Base interactions energy: -146.092
where: short stacking energy: -61.822
Base-Backbone interact. energy: -0.001
local terms energy: -57.141372
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -231.837838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.837838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.852934 (E_RNA)
where:
Base-Base interactions energy: -173.822
where: short stacking energy: -71.511
Base-Backbone interact. energy: 1.731
local terms energy: -59.761782
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -216.540158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.540158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.553630 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.577
local terms energy: -66.743591
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.013 (S_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: 221
Temperature: 1.000000
Total energy: -216.614981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.614981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.682812 (E_RNA)
where:
Base-Base interactions energy: -147.878
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.005
local terms energy: -68.799858
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -213.710835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.710835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.932451 (E_RNA)
where:
Base-Base interactions energy: -155.723
where: short stacking energy: -57.497
Base-Backbone interact. energy: -0.300
local terms energy: -57.909473
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -205.515314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.515314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.502710 (E_RNA)
where:
Base-Base interactions energy: -149.957
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.103
local terms energy: -63.442526
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 7.987 (S_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: 221
Temperature: 1.150000
Total energy: -201.547085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.547085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.627106 (E_RNA)
where:
Base-Base interactions energy: -152.413
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.323
local terms energy: -48.891585
where:
bonds (distance) C4'-P energy: -3.525
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.080 (S_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: 221
Temperature: 1.200000
Total energy: -217.666960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.666960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.810140 (E_RNA)
where:
Base-Base interactions energy: -160.341
where: short stacking energy: -60.908
Base-Backbone interact. energy: -0.029
local terms energy: -57.440251
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.143 (S_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: -194.491903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.491903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.498554 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.043
local terms energy: -50.048800
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -7.969
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.007 (S_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: 221
Temperature: 1.300000
Total energy: -185.503930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.503930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.154394 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.781
local terms energy: -55.160743
where:
bonds (distance) C4'-P energy: -5.293
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 7.650 (S_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: -193.346996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.346996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.548140 (E_RNA)
where:
Base-Base interactions energy: -141.920
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.494
local terms energy: -51.134564
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -235.001586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.001586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.045463 (E_RNA)
where:
Base-Base interactions energy: -171.071
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.022
local terms energy: -63.951648
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -208.930120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.930120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.037722 (E_RNA)
where:
Base-Base interactions energy: -144.044
where: short stacking energy: -59.819
Base-Backbone interact. energy: -0.000
local terms energy: -64.993271
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -216.573789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.573789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.712039 (E_RNA)
where:
Base-Base interactions energy: -150.049
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.212
local terms energy: -66.451561
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -224.250686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.250686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.275338 (E_RNA)
where:
Base-Base interactions energy: -172.485
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.137
local terms energy: -51.653038
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.025 (S_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: -199.382882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.382882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.855065 (E_RNA)
where:
Base-Base interactions energy: -141.166
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.920
local terms energy: -65.769928
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 8.472 (S_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: 222
Temperature: 1.150000
Total energy: -202.392618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.392618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.446338 (E_RNA)
where:
Base-Base interactions energy: -137.378
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.123
local terms energy: -64.945620
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.054 (S_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: -204.349640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.349640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.349640 (E_RNA)
where:
Base-Base interactions energy: -145.757
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.001
local terms energy: -58.591556
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -208.111237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.111237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.261823 (E_RNA)
where:
Base-Base interactions energy: -145.382
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.072
local terms energy: -62.808202
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.151 (S_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: 222
Temperature: 1.300000
Total energy: -194.832264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.832264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.065609 (E_RNA)
where:
Base-Base interactions energy: -136.690
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.000
local terms energy: -58.375446
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.233 (S_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: 222
Temperature: 1.350000
Total energy: -189.485855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.485855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.954974 (E_RNA)
where:
Base-Base interactions energy: -138.951
where: short stacking energy: -59.525
Base-Backbone interact. energy: -0.003
local terms energy: -58.001622
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 7.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -215.509099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.509099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.510182 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.274
local terms energy: -68.384881
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -221.677303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.677303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.738398 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.574
local terms energy: -73.002885
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -214.226740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.226740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.256563 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -60.245
Base-Backbone interact. energy: -0.340
local terms energy: -62.343815
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.030 (S_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: 223
Temperature: 1.050000
Total energy: -210.276729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.276729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.298486 (E_RNA)
where:
Base-Base interactions energy: -144.530
where: short stacking energy: -58.096
Base-Backbone interact. energy: 0.472
local terms energy: -66.239955
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.022 (S_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: -198.709540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.709540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.190762 (E_RNA)
where:
Base-Base interactions energy: -146.105
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.794
local terms energy: -61.291684
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 9.481 (S_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: -205.407731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.407731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.652574 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.013
local terms energy: -60.045686
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.245 (S_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: 223
Temperature: 1.200000
Total energy: -200.228964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.228964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.236542 (E_RNA)
where:
Base-Base interactions energy: -142.442
where: short stacking energy: -58.226
Base-Backbone interact. energy: -0.000
local terms energy: -57.794811
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -201.184004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.184004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.271306 (E_RNA)
where:
Base-Base interactions energy: -138.130
where: short stacking energy: -54.099
Base-Backbone interact. energy: 0.769
local terms energy: -63.910705
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.087 (S_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: 223
Temperature: 1.300000
Total energy: -195.414677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.414677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.481068 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.013
local terms energy: -55.059451
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.066 (S_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: 223
Temperature: 1.350000
Total energy: -185.110421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.110421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.491056 (E_RNA)
where:
Base-Base interactions energy: -132.605
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.001
local terms energy: -59.885491
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 7.381 (S_DIST_RNA)
chem. 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: -220.821758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.858151 (E_RNA)
where:
Base-Base interactions energy: -161.918
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.002
local terms energy: -58.938280
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.036 (S_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: -217.866401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.866401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.907036 (E_RNA)
where:
Base-Base interactions energy: -154.505
where: short stacking energy: -68.060
Base-Backbone interact. energy: -0.017
local terms energy: -63.384799
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -218.135265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.135265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.168132 (E_RNA)
where:
Base-Base interactions energy: -154.699
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.238
local terms energy: -63.230672
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.033 (S_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: 224
Temperature: 1.050000
Total energy: -217.332210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.332210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.402701 (E_RNA)
where:
Base-Base interactions energy: -155.040
where: short stacking energy: -59.085
Base-Backbone interact. energy: -1.040
local terms energy: -61.322736
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.070 (S_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: 224
Temperature: 1.100000
Total energy: -212.481578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.481578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.599337 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.445
local terms energy: -64.836792
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.118 (S_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: 224
Temperature: 1.150000
Total energy: -194.131998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.131998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990001 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.003
local terms energy: -61.005553
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 7.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -201.271939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.271939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.453042 (E_RNA)
where:
Base-Base interactions energy: -143.326
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.128
local terms energy: -57.998312
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.181 (S_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: 224
Temperature: 1.250000
Total energy: -201.732870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.732870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.781468 (E_RNA)
where:
Base-Base interactions energy: -143.820
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.632
local terms energy: -57.328946
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.049 (S_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: 224
Temperature: 1.300000
Total energy: -165.827731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.827731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.560114 (E_RNA)
where:
Base-Base interactions energy: -130.054
where: short stacking energy: -54.749
Base-Backbone interact. energy: -0.594
local terms energy: -43.911512
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -8.191
flat angles C4'-P-C4' energy: -6.931
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 8.732 (S_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: 224
Temperature: 1.350000
Total energy: -189.702070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.702070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.720333 (E_RNA)
where:
Base-Base interactions energy: -131.149
where: short stacking energy: -52.581
Base-Backbone interact. energy: -0.109
local terms energy: -58.462405
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. 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: -222.084748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.084748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.084748 (E_RNA)
where:
Base-Base interactions energy: -155.630
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.017
local terms energy: -66.437818
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -228.689112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.689112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.709092 (E_RNA)
where:
Base-Base interactions energy: -164.278
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.087
local terms energy: -64.344317
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -212.343925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.343925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.439198 (E_RNA)
where:
Base-Base interactions energy: -143.546
where: short stacking energy: -61.814
Base-Backbone interact. energy: 0.337
local terms energy: -69.229649
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.095 (S_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: 225
Temperature: 1.050000
Total energy: -210.416573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.416573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.513065 (E_RNA)
where:
Base-Base interactions energy: -140.610
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.004
local terms energy: -69.898983
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.096 (S_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: 225
Temperature: 1.100000
Total energy: -204.642842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.642842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.065437 (E_RNA)
where:
Base-Base interactions energy: -145.259
where: short stacking energy: -57.375
Base-Backbone interact. energy: -0.212
local terms energy: -59.594359
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -207.669233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.669233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.692582 (E_RNA)
where:
Base-Base interactions energy: -149.079
where: short stacking energy: -51.091
Base-Backbone interact. energy: -0.103
local terms energy: -58.510560
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.023 (S_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: 225
Temperature: 1.200000
Total energy: -187.139529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.139529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.993671 (E_RNA)
where:
Base-Base interactions energy: -133.357
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.018
local terms energy: -61.618622
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 7.854 (S_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: 225
Temperature: 1.250000
Total energy: -199.051546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.051546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.153223 (E_RNA)
where:
Base-Base interactions energy: -140.444
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.090
local terms energy: -58.619708
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.102 (S_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: 225
Temperature: 1.300000
Total energy: -176.702328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.702328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239872 (E_RNA)
where:
Base-Base interactions energy: -130.252
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.037
local terms energy: -53.951017
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 7.538 (S_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: 225
Temperature: 1.350000
Total energy: -195.731638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.731638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.820580 (E_RNA)
where:
Base-Base interactions energy: -136.667
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.000
local terms energy: -59.153483
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -236.546818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.546818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.622115 (E_RNA)
where:
Base-Base interactions energy: -173.563
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.102
local terms energy: -62.956660
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -216.629833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.639151 (E_RNA)
where:
Base-Base interactions energy: -155.349
where: short stacking energy: -64.424
Base-Backbone interact. energy: -0.014
local terms energy: -61.276348
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.009 (S_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: 226
Temperature: 1.000000
Total energy: -221.357961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.357961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.490642 (E_RNA)
where:
Base-Base interactions energy: -159.452
where: short stacking energy: -65.692
Base-Backbone interact. energy: 0.035
local terms energy: -62.073848
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.133 (S_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: 226
Temperature: 1.050000
Total energy: -213.861949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.861949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.869152 (E_RNA)
where:
Base-Base interactions energy: -152.925
where: short stacking energy: -68.179
Base-Backbone interact. energy: -0.042
local terms energy: -60.902499
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.007 (S_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: 226
Temperature: 1.100000
Total energy: -214.826105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.826105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.980026 (E_RNA)
where:
Base-Base interactions energy: -160.478
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.018
local terms energy: -54.483625
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -3.738
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.154 (S_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: 226
Temperature: 1.150000
Total energy: -209.784219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.784219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.784237 (E_RNA)
where:
Base-Base interactions energy: -148.127
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.043
local terms energy: -61.613998
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -14.995
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: 226
Temperature: 1.200000
Total energy: -200.602346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.602346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.633029 (E_RNA)
where:
Base-Base interactions energy: -140.560
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.291
local terms energy: -59.781970
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -181.394911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.394911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.826045 (E_RNA)
where:
Base-Base interactions energy: -127.183
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.003
local terms energy: -62.639879
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 8.431 (S_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: 226
Temperature: 1.300000
Total energy: -199.244595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.304870 (E_RNA)
where:
Base-Base interactions energy: -136.620
where: short stacking energy: -56.400
Base-Backbone interact. energy: -0.414
local terms energy: -62.271455
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.060 (S_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: 226
Temperature: 1.350000
Total energy: -176.249538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.249538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.190704 (E_RNA)
where:
Base-Base interactions energy: -122.529
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.456
local terms energy: -60.206012
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 6.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -236.583077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.583077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.606398 (E_RNA)
where:
Base-Base interactions energy: -169.296
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.085
local terms energy: -67.226188
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.065171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.065171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104934 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -60.949
Base-Backbone interact. energy: 0.081
local terms energy: -63.481502
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -212.956384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.956384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.975175 (E_RNA)
where:
Base-Base interactions energy: -146.051
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.030
local terms energy: -66.894464
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.019 (S_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: 227
Temperature: 1.050000
Total energy: -220.071442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.071442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.292606 (E_RNA)
where:
Base-Base interactions energy: -161.012
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.019
local terms energy: -59.261001
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.221 (S_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: 227
Temperature: 1.100000
Total energy: -206.268297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.268297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401643 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.465
local terms energy: -58.710671
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.133 (S_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: 227
Temperature: 1.150000
Total energy: -205.508250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.508250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578932 (E_RNA)
where:
Base-Base interactions energy: -149.842
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.002
local terms energy: -55.734865
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.071 (S_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: 227
Temperature: 1.200000
Total energy: -203.134568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.134568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223367 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.285
local terms energy: -63.322102
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.089 (S_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: 227
Temperature: 1.250000
Total energy: -196.527396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.527396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.553961 (E_RNA)
where:
Base-Base interactions energy: -137.894
where: short stacking energy: -54.219
Base-Backbone interact. energy: -0.093
local terms energy: -58.566995
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -168.941569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.941569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.734674 (E_RNA)
where:
Base-Base interactions energy: -124.830
where: short stacking energy: -41.539
Base-Backbone interact. energy: -0.666
local terms energy: -51.237879
where:
bonds (distance) C4'-P energy: -6.881
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 7.793 (S_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: 227
Temperature: 1.350000
Total energy: -167.755314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.755314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.751607 (E_RNA)
where:
Base-Base interactions energy: -117.451
where: short stacking energy: -49.583
Base-Backbone interact. energy: -0.000
local terms energy: -57.300732
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 6.996 (S_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: 228
Temperature: 0.900000
Total energy: -229.837096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.837096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.879354 (E_RNA)
where:
Base-Base interactions energy: -162.892
where: short stacking energy: -67.065
Base-Backbone interact. energy: 1.314
local terms energy: -68.301038
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.042 (S_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: -230.986102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.986102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.122998 (E_RNA)
where:
Base-Base interactions energy: -168.795
where: short stacking energy: -64.924
Base-Backbone interact. energy: -0.012
local terms energy: -62.316552
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -213.570139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.570139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.633003 (E_RNA)
where:
Base-Base interactions energy: -150.205
where: short stacking energy: -59.868
Base-Backbone interact. energy: -0.239
local terms energy: -63.188693
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.063 (S_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: 228
Temperature: 1.050000
Total energy: -213.246355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.246355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.371615 (E_RNA)
where:
Base-Base interactions energy: -151.521
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.029
local terms energy: -61.821106
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -212.303017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.303017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.354262 (E_RNA)
where:
Base-Base interactions energy: -150.508
where: short stacking energy: -57.498
Base-Backbone interact. energy: 0.193
local terms energy: -62.038800
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.051 (S_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: 228
Temperature: 1.150000
Total energy: -199.821784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.821784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.849202 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.532
local terms energy: -54.479144
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.027 (S_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: 228
Temperature: 1.200000
Total energy: -203.394592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.402720 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.065
local terms energy: -61.322311
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.008 (S_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: 228
Temperature: 1.250000
Total energy: -210.516824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.516824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.567863 (E_RNA)
where:
Base-Base interactions energy: -158.981
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.488
local terms energy: -51.099512
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -7.913
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -1.940
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.051 (S_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: 228
Temperature: 1.300000
Total energy: -174.207244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.207244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.935965 (E_RNA)
where:
Base-Base interactions energy: -128.578
where: short stacking energy: -57.141
Base-Backbone interact. energy: 1.264
local terms energy: -54.621858
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 7.729 (S_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: 228
Temperature: 1.350000
Total energy: -177.388059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.388059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.605949 (E_RNA)
where:
Base-Base interactions energy: -126.298
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.494
local terms energy: -57.814723
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 7.218 (S_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: 229
Temperature: 0.900000
Total energy: -218.921001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.921001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.060155 (E_RNA)
where:
Base-Base interactions energy: -152.147
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.006
local terms energy: -66.906557
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -221.559096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.559096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.559096 (E_RNA)
where:
Base-Base interactions energy: -155.126
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.003
local terms energy: -66.430139
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -226.770275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.770275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.836390 (E_RNA)
where:
Base-Base interactions energy: -170.474
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.001
local terms energy: -56.361761
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.066 (S_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: 229
Temperature: 1.050000
Total energy: -217.565889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.565889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.790084 (E_RNA)
where:
Base-Base interactions energy: -151.680
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.211
local terms energy: -65.898472
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.224 (S_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: 229
Temperature: 1.100000
Total energy: -208.132012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.132012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.243684 (E_RNA)
where:
Base-Base interactions energy: -141.135
where: short stacking energy: -57.217
Base-Backbone interact. energy: -0.541
local terms energy: -66.566992
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.112 (S_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: -212.357425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.357425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611906 (E_RNA)
where:
Base-Base interactions energy: -157.250
where: short stacking energy: -63.606
Base-Backbone interact. energy: 0.177
local terms energy: -55.538671
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -3.378
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.254 (S_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: 229
Temperature: 1.200000
Total energy: -193.824743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.824743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.888832 (E_RNA)
where:
Base-Base interactions energy: -144.318
where: short stacking energy: -54.234
Base-Backbone interact. energy: -0.107
local terms energy: -49.464251
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.064 (S_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: 229
Temperature: 1.250000
Total energy: -182.613424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.613424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006862 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -51.397
Base-Backbone interact. energy: -0.079
local terms energy: -58.755730
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 7.393 (S_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: 229
Temperature: 1.300000
Total energy: -187.236238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.236238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.554553 (E_RNA)
where:
Base-Base interactions energy: -130.429
where: short stacking energy: -47.283
Base-Backbone interact. energy: -0.154
local terms energy: -56.971587
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.318 (S_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: 229
Temperature: 1.350000
Total energy: -171.645391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.645391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248037 (E_RNA)
where:
Base-Base interactions energy: -123.451
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.726
local terms energy: -57.070593
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 9.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -224.414812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.414812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.455592 (E_RNA)
where:
Base-Base interactions energy: -159.605
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.018
local terms energy: -64.832233
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -213.672030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.672030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.695827 (E_RNA)
where:
Base-Base interactions energy: -150.422
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.175
local terms energy: -63.098488
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.024 (S_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: 230
Temperature: 1.000000
Total energy: -203.059421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.059421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.134889 (E_RNA)
where:
Base-Base interactions energy: -144.966
where: short stacking energy: -57.756
Base-Backbone interact. energy: 0.121
local terms energy: -58.289847
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. 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: -212.536667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.573658 (E_RNA)
where:
Base-Base interactions energy: -143.281
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.091
local terms energy: -69.201147
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.037 (S_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: 230
Temperature: 1.100000
Total energy: -213.444242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.444242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.460527 (E_RNA)
where:
Base-Base interactions energy: -155.636
where: short stacking energy: -56.521
Base-Backbone interact. energy: -0.203
local terms energy: -57.620655
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -1.916
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -203.801819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.801819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.120031 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -50.787
Base-Backbone interact. energy: -0.737
local terms energy: -60.763217
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.318 (S_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: 230
Temperature: 1.200000
Total energy: -196.843069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.843069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.092427 (E_RNA)
where:
Base-Base interactions energy: -133.544
where: short stacking energy: -52.989
Base-Backbone interact. energy: 0.799
local terms energy: -64.347294
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.249 (S_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: 230
Temperature: 1.250000
Total energy: -187.344043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.344043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.230929 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.039
local terms energy: -64.640812
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 7.887 (S_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: 230
Temperature: 1.300000
Total energy: -176.552682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.552682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.429646 (E_RNA)
where:
Base-Base interactions energy: -123.247
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.052
local terms energy: -60.130965
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 6.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -191.030378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.030378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.136811 (E_RNA)
where:
Base-Base interactions energy: -137.997
where: short stacking energy: -57.187
Base-Backbone interact. energy: 0.049
local terms energy: -53.189646
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -227.548943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.548943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.550456 (E_RNA)
where:
Base-Base interactions energy: -170.318
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.017
local terms energy: -57.215901
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -213.867757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.887368 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.017
local terms energy: -52.864776
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.020 (S_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: 231
Temperature: 1.000000
Total energy: -212.614408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.614408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.687979 (E_RNA)
where:
Base-Base interactions energy: -146.771
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.002
local terms energy: -65.914887
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. 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: -221.802973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.802973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.810552 (E_RNA)
where:
Base-Base interactions energy: -155.131
where: short stacking energy: -70.096
Base-Backbone interact. energy: -0.164
local terms energy: -66.514735
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -216.703618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.703618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.809335 (E_RNA)
where:
Base-Base interactions energy: -158.262
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.001
local terms energy: -58.547016
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.106 (S_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: 231
Temperature: 1.150000
Total energy: -203.979543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.979543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.240621 (E_RNA)
where:
Base-Base interactions energy: -136.754
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.002
local terms energy: -67.485136
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. 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: -198.819189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.819189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.950162 (E_RNA)
where:
Base-Base interactions energy: -151.015
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.050
local terms energy: -47.885183
where:
bonds (distance) C4'-P energy: -5.914
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.131 (S_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: 231
Temperature: 1.250000
Total energy: -177.984031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.984031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.782325 (E_RNA)
where:
Base-Base interactions energy: -122.875
where: short stacking energy: -52.460
Base-Backbone interact. energy: -1.346
local terms energy: -61.561075
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 7.798 (S_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: 231
Temperature: 1.300000
Total energy: -183.032044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867512 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.058
local terms energy: -49.021269
where:
bonds (distance) C4'-P energy: -2.595
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 5.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -203.080772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.080772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.081834 (E_RNA)
where:
Base-Base interactions energy: -145.182
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.092
local terms energy: -57.807723
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -232.737370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.737370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.737370 (E_RNA)
where:
Base-Base interactions energy: -164.717
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.012
local terms energy: -68.008651
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -217.914064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.914064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.918749 (E_RNA)
where:
Base-Base interactions energy: -150.111
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.041
local terms energy: -67.766238
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. 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: -212.112317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.112317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156517 (E_RNA)
where:
Base-Base interactions energy: -146.202
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.115
local terms energy: -65.839969
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.044 (S_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: 232
Temperature: 1.050000
Total energy: -220.661466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.661466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.729251 (E_RNA)
where:
Base-Base interactions energy: -156.945
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.104
local terms energy: -63.679656
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -225.729770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729770 (E_RNA)
where:
Base-Base interactions energy: -167.411
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.002
local terms energy: -58.316652
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -2.399
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: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -211.466319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.466319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.496789 (E_RNA)
where:
Base-Base interactions energy: -151.169
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.002
local terms energy: -60.326479
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -200.803660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.803660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.803660 (E_RNA)
where:
Base-Base interactions energy: -136.628
where: short stacking energy: -46.633
Base-Backbone interact. energy: -0.113
local terms energy: -64.063402
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -175.287390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.287390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.403276 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -50.995
Base-Backbone interact. energy: -1.815
local terms energy: -51.144873
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 8.116 (S_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: 232
Temperature: 1.300000
Total energy: -194.985373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.985373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.010723 (E_RNA)
where:
Base-Base interactions energy: -138.476
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.002
local terms energy: -56.533228
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.025 (S_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: 232
Temperature: 1.350000
Total energy: -176.092228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.092228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129420 (E_RNA)
where:
Base-Base interactions energy: -129.507
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.000
local terms energy: -53.622167
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 7.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -239.054172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.054172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.070369 (E_RNA)
where:
Base-Base interactions energy: -171.287
where: short stacking energy: -70.465
Base-Backbone interact. energy: -0.487
local terms energy: -67.296420
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.016 (S_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: -220.197716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.226676 (E_RNA)
where:
Base-Base interactions energy: -160.301
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.005
local terms energy: -59.920841
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.029 (S_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: 233
Temperature: 1.000000
Total energy: -208.633701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.633701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.775689 (E_RNA)
where:
Base-Base interactions energy: -141.568
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.001
local terms energy: -67.206964
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -209.747605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.747605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.807995 (E_RNA)
where:
Base-Base interactions energy: -143.827
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.579
local terms energy: -65.402202
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.060 (S_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: 233
Temperature: 1.100000
Total energy: -208.010615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.010615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.024874 (E_RNA)
where:
Base-Base interactions energy: -146.030
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.016
local terms energy: -61.978536
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -200.458248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.458248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.571435 (E_RNA)
where:
Base-Base interactions energy: -134.679
where: short stacking energy: -53.163
Base-Backbone interact. energy: -0.087
local terms energy: -65.805068
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -203.446824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.446824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.457610 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -62.661
Base-Backbone interact. energy: -0.006
local terms energy: -54.924146
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -7.834
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.011 (S_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: 233
Temperature: 1.250000
Total energy: -195.222349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.222349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.361394 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.027
local terms energy: -57.429279
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.139 (S_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: 233
Temperature: 1.300000
Total energy: -175.804548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.804548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.429314 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -52.876
Base-Backbone interact. energy: -1.438
local terms energy: -56.550642
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 7.625 (S_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: 233
Temperature: 1.350000
Total energy: -168.425780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.425780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.747391 (E_RNA)
where:
Base-Base interactions energy: -127.808
where: short stacking energy: -49.800
Base-Backbone interact. energy: 0.997
local terms energy: -48.937276
where:
bonds (distance) C4'-P energy: -2.911
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 7.322 (S_DIST_RNA)
chem. 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: -233.359698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.359698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.370084 (E_RNA)
where:
Base-Base interactions energy: -162.076
where: short stacking energy: -65.981
Base-Backbone interact. energy: -2.462
local terms energy: -68.832509
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.010 (S_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: 234
Temperature: 0.950000
Total energy: -218.278345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.278345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.285166 (E_RNA)
where:
Base-Base interactions energy: -148.854
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.039
local terms energy: -69.392095
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -214.087971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.087971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.087971 (E_RNA)
where:
Base-Base interactions energy: -151.430
where: short stacking energy: -61.828
Base-Backbone interact. energy: -0.127
local terms energy: -62.531353
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.025
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: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -218.151810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.151810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.407431 (E_RNA)
where:
Base-Base interactions energy: -149.060
where: short stacking energy: -63.426
Base-Backbone interact. energy: -0.247
local terms energy: -69.100691
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.256 (S_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: 234
Temperature: 1.100000
Total energy: -202.489583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.489583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.553395 (E_RNA)
where:
Base-Base interactions energy: -139.284
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.009
local terms energy: -63.260035
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.064 (S_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: 234
Temperature: 1.150000
Total energy: -204.859030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.859030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.872610 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.054
local terms energy: -62.205587
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.014 (S_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: -201.805003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.805003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.805003 (E_RNA)
where:
Base-Base interactions energy: -145.363
where: short stacking energy: -57.065
Base-Backbone interact. energy: 0.392
local terms energy: -56.834469
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -12.988
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: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -202.798773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.798773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.918717 (E_RNA)
where:
Base-Base interactions energy: -139.709
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.000
local terms energy: -63.209223
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.120 (S_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: 234
Temperature: 1.300000
Total energy: -180.864580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.864580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.670563 (E_RNA)
where:
Base-Base interactions energy: -129.238
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.000
local terms energy: -60.432207
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 8.806 (S_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: 234
Temperature: 1.350000
Total energy: -171.229050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.229050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.984301 (E_RNA)
where:
Base-Base interactions energy: -117.895
where: short stacking energy: -47.106
Base-Backbone interact. energy: 0.237
local terms energy: -61.326826
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 7.755 (S_DIST_RNA)
chem. 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: -235.299128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.299128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.466798 (E_RNA)
where:
Base-Base interactions energy: -166.677
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.020
local terms energy: -68.769700
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.168 (S_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: 235
Temperature: 0.950000
Total energy: -218.380120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.380120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423606 (E_RNA)
where:
Base-Base interactions energy: -149.185
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.000
local terms energy: -69.238478
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. 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: -217.704751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.704751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721472 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -63.985
Base-Backbone interact. energy: 0.247
local terms energy: -60.768813
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.017 (S_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: 235
Temperature: 1.050000
Total energy: -213.214621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.214621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.369808 (E_RNA)
where:
Base-Base interactions energy: -151.787
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.040
local terms energy: -61.543414
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -213.930078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.930078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.998308 (E_RNA)
where:
Base-Base interactions energy: -152.350
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.006
local terms energy: -61.641979
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.068 (S_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: -209.229602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.229602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402150 (E_RNA)
where:
Base-Base interactions energy: -148.431
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.000
local terms energy: -60.970724
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -203.615919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.615919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.645570 (E_RNA)
where:
Base-Base interactions energy: -143.306
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.007
local terms energy: -60.332275
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.030 (S_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: 235
Temperature: 1.250000
Total energy: -185.844933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.844933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.028093 (E_RNA)
where:
Base-Base interactions energy: -129.720
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.280
local terms energy: -64.028582
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 8.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -198.402091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.402091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.462928 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.092
local terms energy: -51.705217
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.061 (S_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: 235
Temperature: 1.350000
Total energy: -167.803016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.803016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287675 (E_RNA)
where:
Base-Base interactions energy: -119.855
where: short stacking energy: -49.869
Base-Backbone interact. energy: -0.017
local terms energy: -55.414850
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 7.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -223.748009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.748009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.766999 (E_RNA)
where:
Base-Base interactions energy: -155.627
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.041
local terms energy: -68.098391
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.019 (S_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: 236
Temperature: 0.950000
Total energy: -215.481766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.481766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.557033 (E_RNA)
where:
Base-Base interactions energy: -151.086
where: short stacking energy: -60.584
Base-Backbone interact. energy: -0.037
local terms energy: -64.433862
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -220.923734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.923734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.932489 (E_RNA)
where:
Base-Base interactions energy: -159.512
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.003
local terms energy: -61.417165
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -217.026543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.026543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040657 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.018
local terms energy: -66.983438
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.014 (S_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: 236
Temperature: 1.100000
Total energy: -204.995672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.121477 (E_RNA)
where:
Base-Base interactions energy: -145.302
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.119
local terms energy: -59.700604
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.126 (S_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: 236
Temperature: 1.150000
Total energy: -203.871446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.871446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.200213 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -50.413
Base-Backbone interact. energy: -0.389
local terms energy: -65.348666
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -195.078799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.078799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.456885 (E_RNA)
where:
Base-Base interactions energy: -138.556
where: short stacking energy: -58.582
Base-Backbone interact. energy: -1.348
local terms energy: -55.552222
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.378 (S_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: 236
Temperature: 1.250000
Total energy: -185.444190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.444190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.780675 (E_RNA)
where:
Base-Base interactions energy: -132.710
where: short stacking energy: -56.751
Base-Backbone interact. energy: -1.133
local terms energy: -58.937390
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 7.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -198.621753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.621753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.823610 (E_RNA)
where:
Base-Base interactions energy: -135.646
where: short stacking energy: -56.481
Base-Backbone interact. energy: -0.014
local terms energy: -63.163863
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.202 (S_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: 236
Temperature: 1.350000
Total energy: -173.114018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.114018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.312181 (E_RNA)
where:
Base-Base interactions energy: -123.369
where: short stacking energy: -56.441
Base-Backbone interact. energy: -0.001
local terms energy: -56.942058
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 7.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -221.425684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.425684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.458399 (E_RNA)
where:
Base-Base interactions energy: -153.752
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.016
local terms energy: -67.690243
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.033 (S_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: 237
Temperature: 0.950000
Total energy: -219.914341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.914341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.922840 (E_RNA)
where:
Base-Base interactions energy: -159.902
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.370
local terms energy: -59.650156
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -211.493747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.493747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.528525 (E_RNA)
where:
Base-Base interactions energy: -147.926
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.073
local terms energy: -63.529220
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -215.369920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.369920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.413393 (E_RNA)
where:
Base-Base interactions energy: -155.821
where: short stacking energy: -61.161
Base-Backbone interact. energy: -0.039
local terms energy: -59.553133
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -203.038487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.038487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.048460 (E_RNA)
where:
Base-Base interactions energy: -145.485
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.094
local terms energy: -57.469583
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.010 (S_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: 237
Temperature: 1.150000
Total energy: -212.983627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.983627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.031501 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.002
local terms energy: -66.644539
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.048 (S_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: 237
Temperature: 1.200000
Total energy: -199.368122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.368122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.580817 (E_RNA)
where:
Base-Base interactions energy: -137.469
where: short stacking energy: -55.518
Base-Backbone interact. energy: -0.037
local terms energy: -62.074202
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -201.180305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.180305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.399231 (E_RNA)
where:
Base-Base interactions energy: -145.293
where: short stacking energy: -55.300
Base-Backbone interact. energy: 0.673
local terms energy: -56.779333
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.219 (S_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: 237
Temperature: 1.300000
Total energy: -175.096990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.096990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.539396 (E_RNA)
where:
Base-Base interactions energy: -129.574
where: short stacking energy: -54.291
Base-Backbone interact. energy: -0.789
local terms energy: -53.176521
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 8.442 (S_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: 237
Temperature: 1.350000
Total energy: -175.790754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.790754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.964838 (E_RNA)
where:
Base-Base interactions energy: -129.023
where: short stacking energy: -54.852
Base-Backbone interact. energy: -0.032
local terms energy: -54.910133
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 8.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -224.628208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.628208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.628208 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.002
local terms energy: -68.455447
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -11.390
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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -220.480990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.480990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.481867 (E_RNA)
where:
Base-Base interactions energy: -155.037
where: short stacking energy: -65.577
Base-Backbone interact. energy: -0.217
local terms energy: -65.228370
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.001 (S_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: 238
Temperature: 1.000000
Total energy: -211.600164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.600164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728561 (E_RNA)
where:
Base-Base interactions energy: -151.212
where: short stacking energy: -61.997
Base-Backbone interact. energy: 2.317
local terms energy: -62.833317
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -224.361644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.361644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379572 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -64.009
Base-Backbone interact. energy: -0.061
local terms energy: -61.413925
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.018 (S_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: 238
Temperature: 1.100000
Total energy: -213.849306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.849306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.849306 (E_RNA)
where:
Base-Base interactions energy: -147.808
where: short stacking energy: -60.543
Base-Backbone interact. energy: -0.000
local terms energy: -66.040968
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -205.397757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.397757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.475278 (E_RNA)
where:
Base-Base interactions energy: -139.654
where: short stacking energy: -56.660
Base-Backbone interact. energy: -0.010
local terms energy: -65.811334
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -205.223249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.254368 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.007
local terms energy: -65.797681
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -202.333573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.333573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.482769 (E_RNA)
where:
Base-Base interactions energy: -143.107
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.020
local terms energy: -59.355718
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.149 (S_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: 238
Temperature: 1.300000
Total energy: -181.196517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.196517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.625942 (E_RNA)
where:
Base-Base interactions energy: -143.042
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.040
local terms energy: -46.543676
where:
bonds (distance) C4'-P energy: -5.336
bonds (distance) P-C4' energy: -10.124
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 8.429 (S_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: 238
Temperature: 1.350000
Total energy: -179.120754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.120754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.558028 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.357
local terms energy: -59.840894
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 8.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -236.958278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.958278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.960289 (E_RNA)
where:
Base-Base interactions energy: -175.808
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.003
local terms energy: -61.149005
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.002 (S_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: 239
Temperature: 0.950000
Total energy: -220.068443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.068443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.207387 (E_RNA)
where:
Base-Base interactions energy: -160.009
where: short stacking energy: -66.047
Base-Backbone interact. energy: 0.437
local terms energy: -60.635367
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -210.333655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.333655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.458300 (E_RNA)
where:
Base-Base interactions energy: -146.586
where: short stacking energy: -55.891
Base-Backbone interact. energy: -0.157
local terms energy: -63.715760
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -218.122052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.122052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.310935 (E_RNA)
where:
Base-Base interactions energy: -161.367
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.244
local terms energy: -56.700689
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -2.322
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.189 (S_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: 239
Temperature: 1.100000
Total energy: -206.826747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.826747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.830124 (E_RNA)
where:
Base-Base interactions energy: -147.369
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.017
local terms energy: -59.443315
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.003 (S_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: 239
Temperature: 1.150000
Total energy: -213.079414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.079414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.096726 (E_RNA)
where:
Base-Base interactions energy: -149.936
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.000
local terms energy: -63.160168
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -202.990146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.990146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.005700 (E_RNA)
where:
Base-Base interactions energy: -141.506
where: short stacking energy: -59.826
Base-Backbone interact. energy: 0.450
local terms energy: -61.949549
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.016 (S_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: 239
Temperature: 1.250000
Total energy: -188.111316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.111316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.819373 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -53.637
Base-Backbone interact. energy: 0.479
local terms energy: -52.339107
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 5.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -205.432387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.432387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.609634 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.023
local terms energy: -60.208905
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.177 (S_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: 239
Temperature: 1.350000
Total energy: -174.607743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.607743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.195939 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -50.929
Base-Backbone interact. energy: -0.791
local terms energy: -56.272483
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 8.588 (S_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: 240
Temperature: 0.900000
Total energy: -217.737841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.737841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.927200 (E_RNA)
where:
Base-Base interactions energy: -155.442
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.000
local terms energy: -62.484673
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.189 (S_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: 240
Temperature: 0.950000
Total energy: -228.464977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.464977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.522748 (E_RNA)
where:
Base-Base interactions energy: -161.227
where: short stacking energy: -61.669
Base-Backbone interact. energy: -0.044
local terms energy: -67.251926
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -216.547666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.547666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655670 (E_RNA)
where:
Base-Base interactions energy: -149.272
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.007
local terms energy: -67.376238
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -221.083077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.083077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.174506 (E_RNA)
where:
Base-Base interactions energy: -168.642
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.011
local terms energy: -52.521478
where:
bonds (distance) C4'-P energy: -6.582
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.091 (S_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: 240
Temperature: 1.100000
Total energy: -216.680465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.680465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.719584 (E_RNA)
where:
Base-Base interactions energy: -157.036
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.128
local terms energy: -59.555789
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.039 (S_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: 240
Temperature: 1.150000
Total energy: -209.614098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.614098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.658582 (E_RNA)
where:
Base-Base interactions energy: -150.453
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.155
local terms energy: -59.050375
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -204.196113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.196113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.210250 (E_RNA)
where:
Base-Base interactions energy: -144.992
where: short stacking energy: -54.860
Base-Backbone interact. energy: -0.082
local terms energy: -59.136643
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -184.750676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.750676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.820743 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -58.913
Base-Backbone interact. energy: -0.524
local terms energy: -56.767550
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 7.070 (S_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: 240
Temperature: 1.300000
Total energy: -183.963925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.963925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.984947 (E_RNA)
where:
Base-Base interactions energy: -132.283
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.060
local terms energy: -57.642599
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 6.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -193.803821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.803821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.974985 (E_RNA)
where:
Base-Base interactions energy: -142.726
where: short stacking energy: -56.438
Base-Backbone interact. energy: 0.267
local terms energy: -51.516453
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.171 (S_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: 241
Temperature: 0.900000
Total energy: -216.669340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.669340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.951292 (E_RNA)
where:
Base-Base interactions energy: -151.813
where: short stacking energy: -68.017
Base-Backbone interact. energy: -0.004
local terms energy: -65.134078
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.282 (S_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: 241
Temperature: 0.950000
Total energy: -237.066513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.066513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.072537 (E_RNA)
where:
Base-Base interactions energy: -172.338
where: short stacking energy: -72.584
Base-Backbone interact. energy: 0.090
local terms energy: -64.824380
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. 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: -210.198346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.198346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.205457 (E_RNA)
where:
Base-Base interactions energy: -139.664
where: short stacking energy: -52.981
Base-Backbone interact. energy: -1.072
local terms energy: -69.469241
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -208.938696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.973723 (E_RNA)
where:
Base-Base interactions energy: -152.436
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.641
local terms energy: -55.896917
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.035 (S_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: 241
Temperature: 1.100000
Total energy: -208.608828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.608828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.610649 (E_RNA)
where:
Base-Base interactions energy: -150.816
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.245
local terms energy: -57.549383
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -11.097
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -211.787786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.787786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.889471 (E_RNA)
where:
Base-Base interactions energy: -148.978
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.002
local terms energy: -62.909386
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.102 (S_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: 241
Temperature: 1.200000
Total energy: -202.764774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.764774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.780890 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.211
local terms energy: -61.183359
where:
bonds (distance) C4'-P energy: -6.332
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.016 (S_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: 241
Temperature: 1.250000
Total energy: -187.721730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.721730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.436816 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -56.115
Base-Backbone interact. energy: -1.129
local terms energy: -60.308824
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 7.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -180.216535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.216535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.457345 (E_RNA)
where:
Base-Base interactions energy: -127.866
where: short stacking energy: -53.494
Base-Backbone interact. energy: -0.501
local terms energy: -59.090434
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 7.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -198.912637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.912637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.973430 (E_RNA)
where:
Base-Base interactions energy: -134.084
where: short stacking energy: -55.122
Base-Backbone interact. energy: 1.026
local terms energy: -65.915269
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -233.772386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.772386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.848424 (E_RNA)
where:
Base-Base interactions energy: -175.761
where: short stacking energy: -71.482
Base-Backbone interact. energy: -0.216
local terms energy: -57.871716
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.076 (S_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: 242
Temperature: 0.950000
Total energy: -226.643638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.643638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.706966 (E_RNA)
where:
Base-Base interactions energy: -161.868
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.000
local terms energy: -64.838400
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -212.199269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.199269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502098 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.062
local terms energy: -64.647444
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. 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: -212.080562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.080562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.183465 (E_RNA)
where:
Base-Base interactions energy: -144.771
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.214
local terms energy: -67.199156
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.103 (S_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: 242
Temperature: 1.100000
Total energy: -212.296923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.296923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.314400 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.010
local terms energy: -58.947064
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.017 (S_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: 242
Temperature: 1.150000
Total energy: -203.819618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.819618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.840291 (E_RNA)
where:
Base-Base interactions energy: -143.550
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.024
local terms energy: -60.266037
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.021 (S_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: 242
Temperature: 1.200000
Total energy: -204.769433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.769433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.887071 (E_RNA)
where:
Base-Base interactions energy: -156.579
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.598
local terms energy: -47.710492
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.118 (S_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: 242
Temperature: 1.250000
Total energy: -191.372736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.372736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.460619 (E_RNA)
where:
Base-Base interactions energy: -132.086
where: short stacking energy: -51.513
Base-Backbone interact. energy: -0.074
local terms energy: -66.300078
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 7.088 (S_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: 242
Temperature: 1.300000
Total energy: -202.696843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.696843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.733355 (E_RNA)
where:
Base-Base interactions energy: -144.700
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.349
local terms energy: -57.684489
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.037 (S_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: 242
Temperature: 1.350000
Total energy: -175.046516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.046516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.777470 (E_RNA)
where:
Base-Base interactions energy: -126.186
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.151
local terms energy: -57.440807
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 8.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -236.701968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.701968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.974508 (E_RNA)
where:
Base-Base interactions energy: -175.855
where: short stacking energy: -74.991
Base-Backbone interact. energy: -0.005
local terms energy: -61.115109
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -1.359
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.273 (S_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: 243
Temperature: 0.950000
Total energy: -225.573151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.573151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.624494 (E_RNA)
where:
Base-Base interactions energy: -160.709
where: short stacking energy: -66.242
Base-Backbone interact. energy: -0.022
local terms energy: -64.893854
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -221.251516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.251516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.251516 (E_RNA)
where:
Base-Base interactions energy: -164.507
where: short stacking energy: -61.246
Base-Backbone interact. energy: 0.831
local terms energy: -57.575583
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -215.837250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.837250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924259 (E_RNA)
where:
Base-Base interactions energy: -151.393
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.004
local terms energy: -64.527326
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.087 (S_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: 243
Temperature: 1.100000
Total energy: -204.983968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.983968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.012990 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.178
local terms energy: -63.238907
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.029 (S_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: 243
Temperature: 1.150000
Total energy: -203.196381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.196381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.290967 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -57.186
Base-Backbone interact. energy: -0.001
local terms energy: -67.348466
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -202.912684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.912684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011565 (E_RNA)
where:
Base-Base interactions energy: -142.785
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.471
local terms energy: -59.755718
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.099 (S_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: 243
Temperature: 1.250000
Total energy: -206.712995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.712995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.764157 (E_RNA)
where:
Base-Base interactions energy: -154.126
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.056
local terms energy: -52.581717
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -7.694
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.051 (S_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: 243
Temperature: 1.300000
Total energy: -172.117221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.117221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.716764 (E_RNA)
where:
Base-Base interactions energy: -123.452
where: short stacking energy: -47.240
Base-Backbone interact. energy: -0.501
local terms energy: -55.764284
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 7.600 (S_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: 243
Temperature: 1.350000
Total energy: -179.986293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.986293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.726106 (E_RNA)
where:
Base-Base interactions energy: -129.491
where: short stacking energy: -50.065
Base-Backbone interact. energy: -0.005
local terms energy: -58.230428
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 7.740 (S_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: 244
Temperature: 0.900000
Total energy: -230.666280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.666280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.788593 (E_RNA)
where:
Base-Base interactions energy: -164.231
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.001
local terms energy: -66.556546
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -233.069762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.069762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.071103 (E_RNA)
where:
Base-Base interactions energy: -179.769
where: short stacking energy: -74.869
Base-Backbone interact. energy: -0.011
local terms energy: -53.291587
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -2.009
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -230.842940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.842940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.891695 (E_RNA)
where:
Base-Base interactions energy: -169.855
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.015
local terms energy: -61.021469
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -207.404103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.404103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.486813 (E_RNA)
where:
Base-Base interactions energy: -141.485
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.130
local terms energy: -65.871669
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.083 (S_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: 244
Temperature: 1.100000
Total energy: -219.759358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.759358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.759358 (E_RNA)
where:
Base-Base interactions energy: -156.043
where: short stacking energy: -61.590
Base-Backbone interact. energy: 0.190
local terms energy: -63.906870
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -203.343662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.343662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.383177 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.224
local terms energy: -62.990116
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.040 (S_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: 244
Temperature: 1.200000
Total energy: -203.239780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.239780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.465486 (E_RNA)
where:
Base-Base interactions energy: -141.841
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.148
local terms energy: -61.475739
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -201.690308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.690308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.794844 (E_RNA)
where:
Base-Base interactions energy: -136.652
where: short stacking energy: -53.948
Base-Backbone interact. energy: 0.155
local terms energy: -65.298339
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.105 (S_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: 244
Temperature: 1.300000
Total energy: -185.436680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.436680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.463917 (E_RNA)
where:
Base-Base interactions energy: -136.666
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.413
local terms energy: -56.384999
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 8.027 (S_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: 244
Temperature: 1.350000
Total energy: -172.108004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.108004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.836119 (E_RNA)
where:
Base-Base interactions energy: -124.194
where: short stacking energy: -55.454
Base-Backbone interact. energy: 0.078
local terms energy: -58.719802
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 10.728 (S_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: 245
Temperature: 0.900000
Total energy: -225.561348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.561348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.577155 (E_RNA)
where:
Base-Base interactions energy: -159.874
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.010
local terms energy: -65.693044
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -231.085219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.085219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.137636 (E_RNA)
where:
Base-Base interactions energy: -168.606
where: short stacking energy: -68.413
Base-Backbone interact. energy: -0.244
local terms energy: -62.287921
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -217.569050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.569050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.574890 (E_RNA)
where:
Base-Base interactions energy: -147.876
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.000
local terms energy: -69.699041
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. 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: -210.564948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.564948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.677767 (E_RNA)
where:
Base-Base interactions energy: -148.012
where: short stacking energy: -64.287
Base-Backbone interact. energy: 0.318
local terms energy: -62.983569
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.113 (S_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: 245
Temperature: 1.100000
Total energy: -211.266917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.266917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.409622 (E_RNA)
where:
Base-Base interactions energy: -147.851
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.034
local terms energy: -63.525326
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.143 (S_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: 245
Temperature: 1.150000
Total energy: -205.828618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.893652 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.016
local terms energy: -63.347979
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.065 (S_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: -200.113764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.113764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.172955 (E_RNA)
where:
Base-Base interactions energy: -155.097
where: short stacking energy: -59.076
Base-Backbone interact. energy: -0.041
local terms energy: -45.035285
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.059 (S_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: 245
Temperature: 1.250000
Total energy: -184.323878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.323878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297195 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.001
local terms energy: -57.958960
where:
bonds (distance) C4'-P energy: -7.198
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 8.973 (S_DIST_RNA)
chem. 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: -189.644362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.644362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.044759 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.078
local terms energy: -57.230710
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.400 (S_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: 245
Temperature: 1.350000
Total energy: -175.909156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.909156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.846183 (E_RNA)
where:
Base-Base interactions energy: -129.259
where: short stacking energy: -55.826
Base-Backbone interact. energy: -0.000
local terms energy: -54.586487
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 7.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -228.245568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.245568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.325556 (E_RNA)
where:
Base-Base interactions energy: -162.353
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.005
local terms energy: -65.967477
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.080 (S_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: 246
Temperature: 0.950000
Total energy: -219.133258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.133258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329089 (E_RNA)
where:
Base-Base interactions energy: -156.011
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.576
local terms energy: -62.742028
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. 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: -219.338616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.338616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.435557 (E_RNA)
where:
Base-Base interactions energy: -162.532
where: short stacking energy: -65.463
Base-Backbone interact. energy: -0.035
local terms energy: -56.868407
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -213.890948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.890948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941609 (E_RNA)
where:
Base-Base interactions energy: -150.589
where: short stacking energy: -64.533
Base-Backbone interact. energy: 0.660
local terms energy: -64.013340
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.051 (S_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: 246
Temperature: 1.100000
Total energy: -214.664464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.664464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.664464 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.294
local terms energy: -66.063585
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -217.962183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.962183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.222314 (E_RNA)
where:
Base-Base interactions energy: -165.849
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.021
local terms energy: -52.352177
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.260 (S_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: 246
Temperature: 1.200000
Total energy: -182.710452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.710452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.055893 (E_RNA)
where:
Base-Base interactions energy: -132.938
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.007
local terms energy: -59.110654
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 9.345 (S_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: 246
Temperature: 1.250000
Total energy: -199.120092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.151175 (E_RNA)
where:
Base-Base interactions energy: -144.247
where: short stacking energy: -58.511
Base-Backbone interact. energy: -0.044
local terms energy: -54.860989
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.031 (S_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: 246
Temperature: 1.300000
Total energy: -170.894988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.894988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.730786 (E_RNA)
where:
Base-Base interactions energy: -127.740
where: short stacking energy: -52.701
Base-Backbone interact. energy: -0.116
local terms energy: -50.875318
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 7.836 (S_DIST_RNA)
chem. 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: -189.831644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.839151 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -58.501
Base-Backbone interact. energy: -0.006
local terms energy: -54.546872
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -8.551
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -236.535456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.572663 (E_RNA)
where:
Base-Base interactions energy: -172.791
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.001
local terms energy: -63.780792
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.037 (S_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: -219.901349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.901349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912777 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.007
local terms energy: -59.498682
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -212.542272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.542272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.564682 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -55.920
Base-Backbone interact. energy: -0.280
local terms energy: -66.870779
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.022 (S_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: 247
Temperature: 1.050000
Total energy: -214.754135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.754135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.777567 (E_RNA)
where:
Base-Base interactions energy: -150.558
where: short stacking energy: -64.754
Base-Backbone interact. energy: -0.001
local terms energy: -64.218216
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.023 (S_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: -207.423442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.423442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.713111 (E_RNA)
where:
Base-Base interactions energy: -138.877
where: short stacking energy: -52.919
Base-Backbone interact. energy: 1.257
local terms energy: -70.093606
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -203.774859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.774859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981563 (E_RNA)
where:
Base-Base interactions energy: -152.248
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.002
local terms energy: -51.731531
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.207 (S_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: 247
Temperature: 1.200000
Total energy: -179.849524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.849524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.331116 (E_RNA)
where:
Base-Base interactions energy: -129.516
where: short stacking energy: -58.800
Base-Backbone interact. energy: 0.234
local terms energy: -58.049627
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 7.482 (S_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: 247
Temperature: 1.250000
Total energy: -201.895317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.895317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.962569 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.004
local terms energy: -55.241832
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.067 (S_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: 247
Temperature: 1.300000
Total energy: -174.917575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.917575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.394351 (E_RNA)
where:
Base-Base interactions energy: -129.177
where: short stacking energy: -56.512
Base-Backbone interact. energy: 0.233
local terms energy: -52.450237
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: 6.477 (S_DIST_RNA)
chem. 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: -201.180620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.180620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.180663 (E_RNA)
where:
Base-Base interactions energy: -137.306
where: short stacking energy: -52.254
Base-Backbone interact. energy: -0.239
local terms energy: -63.635208
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -226.321282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.321282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.438380 (E_RNA)
where:
Base-Base interactions energy: -166.139
where: short stacking energy: -65.852
Base-Backbone interact. energy: -0.010
local terms energy: -60.289537
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.117 (S_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: 248
Temperature: 0.950000
Total energy: -224.172165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.172165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.226443 (E_RNA)
where:
Base-Base interactions energy: -166.103
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.020
local terms energy: -58.102767
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -0.927
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.054 (S_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: 248
Temperature: 1.000000
Total energy: -205.264896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.264896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.264896 (E_RNA)
where:
Base-Base interactions energy: -146.128
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.046
local terms energy: -59.091113
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -225.286322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.286322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.288845 (E_RNA)
where:
Base-Base interactions energy: -163.536
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.184
local terms energy: -61.569503
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.003 (S_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: 248
Temperature: 1.100000
Total energy: -211.602166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.602166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.602166 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.436
local terms energy: -66.759692
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -18.246
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: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -201.444531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.444531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.558286 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.001
local terms energy: -61.087043
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.114 (S_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: 248
Temperature: 1.200000
Total energy: -200.318812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.318812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.386936 (E_RNA)
where:
Base-Base interactions energy: -135.840
where: short stacking energy: -54.933
Base-Backbone interact. energy: -0.003
local terms energy: -64.543814
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.068 (S_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: 248
Temperature: 1.250000
Total energy: -195.113865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.892476 (E_RNA)
where:
Base-Base interactions energy: -142.170
where: short stacking energy: -61.946
Base-Backbone interact. energy: -1.992
local terms energy: -58.730689
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 7.779 (S_DIST_RNA)
chem. 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: -200.616495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.616495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.697411 (E_RNA)
where:
Base-Base interactions energy: -142.383
where: short stacking energy: -54.145
Base-Backbone interact. energy: 1.308
local terms energy: -59.622689
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.081 (S_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: 248
Temperature: 1.350000
Total energy: -164.310832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.310832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.407055 (E_RNA)
where:
Base-Base interactions energy: -120.227
where: short stacking energy: -47.884
Base-Backbone interact. energy: -0.017
local terms energy: -52.162336
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 8.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -225.478072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.478072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.506635 (E_RNA)
where:
Base-Base interactions energy: -162.274
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.002
local terms energy: -63.231224
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.029 (S_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: 249
Temperature: 0.950000
Total energy: -223.210917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.210917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.210917 (E_RNA)
where:
Base-Base interactions energy: -149.772
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.165
local terms energy: -73.274188
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -12.440
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: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -212.608274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.608274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.658911 (E_RNA)
where:
Base-Base interactions energy: -157.109
where: short stacking energy: -58.691
Base-Backbone interact. energy: 0.048
local terms energy: -55.598210
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -222.364737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.364737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.486568 (E_RNA)
where:
Base-Base interactions energy: -162.168
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.020
local terms energy: -60.298774
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.122 (S_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: 249
Temperature: 1.100000
Total energy: -208.308431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356908 (E_RNA)
where:
Base-Base interactions energy: -150.592
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.010
local terms energy: -57.754752
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -11.422
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -204.055909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.055909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152340 (E_RNA)
where:
Base-Base interactions energy: -145.452
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.067
local terms energy: -58.633967
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.096 (S_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: -202.698269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.698269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.761359 (E_RNA)
where:
Base-Base interactions energy: -139.813
where: short stacking energy: -56.435
Base-Backbone interact. energy: -0.000
local terms energy: -62.947999
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. 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: -204.582463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.582463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.656957 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -54.869
Base-Backbone interact. energy: 0.393
local terms energy: -63.034962
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -184.656483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.656483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.113470 (E_RNA)
where:
Base-Base interactions energy: -132.003
where: short stacking energy: -60.743
Base-Backbone interact. energy: -1.190
local terms energy: -59.920697
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 8.457 (S_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: 249
Temperature: 1.350000
Total energy: -172.748851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.748851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.160353 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -51.915
Base-Backbone interact. energy: -0.000
local terms energy: -57.195423
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 8.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -223.357235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.357235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.386760 (E_RNA)
where:
Base-Base interactions energy: -161.357
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.228
local terms energy: -61.801699
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.030 (S_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: -219.288162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.288162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.312639 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.001
local terms energy: -65.527621
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -216.203322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.203322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.269419 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.003
local terms energy: -67.620891
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -207.610382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.610382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.824209 (E_RNA)
where:
Base-Base interactions energy: -147.485
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.001
local terms energy: -60.338614
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -224.802114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.802114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.822856 (E_RNA)
where:
Base-Base interactions energy: -167.753
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.003
local terms energy: -57.067042
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. 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: -198.205560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.205560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.569723 (E_RNA)
where:
Base-Base interactions energy: -143.759
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.090
local terms energy: -54.721117
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. 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: -203.004759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.004759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.126830 (E_RNA)
where:
Base-Base interactions energy: -144.119
where: short stacking energy: -62.374
Base-Backbone interact. energy: 1.474
local terms energy: -60.481722
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.122 (S_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: -203.383786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.383786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.479408 (E_RNA)
where:
Base-Base interactions energy: -137.014
where: short stacking energy: -56.522
Base-Backbone interact. energy: -0.074
local terms energy: -66.391032
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -185.417161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.417161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.517023 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.085
local terms energy: -61.729607
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 7.100 (S_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: 250
Temperature: 1.350000
Total energy: -171.193814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.193814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.713276 (E_RNA)
where:
Base-Base interactions energy: -125.221
where: short stacking energy: -50.681
Base-Backbone interact. energy: -0.188
local terms energy: -53.303867
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 7.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -228.178829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.178829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.205442 (E_RNA)
where:
Base-Base interactions energy: -164.626
where: short stacking energy: -67.828
Base-Backbone interact. energy: -0.001
local terms energy: -63.578430
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.027 (S_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: 251
Temperature: 0.950000
Total energy: -208.910204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.910204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.919571 (E_RNA)
where:
Base-Base interactions energy: -143.838
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.001
local terms energy: -65.079791
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.009 (S_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: 251
Temperature: 1.000000
Total energy: -212.855801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.855801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.858527 (E_RNA)
where:
Base-Base interactions energy: -151.073
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.024
local terms energy: -61.761774
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -226.221040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.221040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.223404 (E_RNA)
where:
Base-Base interactions energy: -167.261
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.007
local terms energy: -58.955657
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -4.562
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.002 (S_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: 251
Temperature: 1.100000
Total energy: -205.165502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.165502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.171028 (E_RNA)
where:
Base-Base interactions energy: -141.981
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.300
local terms energy: -62.890247
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.006 (S_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: -209.009933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.009933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.011121 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -60.460
Base-Backbone interact. energy: 0.714
local terms energy: -57.888509
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. 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: -206.473785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.473785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.530459 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -61.634
Base-Backbone interact. energy: -0.000
local terms energy: -57.975760
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -184.492620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.073766 (E_RNA)
where:
Base-Base interactions energy: -134.685
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.008
local terms energy: -56.381150
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 6.581 (S_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: 251
Temperature: 1.300000
Total energy: -193.887883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.887883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.277819 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -54.783
Base-Backbone interact. energy: -0.328
local terms energy: -56.957682
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.390 (S_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: 251
Temperature: 1.350000
Total energy: -172.569736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.569736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.542083 (E_RNA)
where:
Base-Base interactions energy: -122.460
where: short stacking energy: -51.470
Base-Backbone interact. energy: 1.560
local terms energy: -59.642148
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 7.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -222.352294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.384919 (E_RNA)
where:
Base-Base interactions energy: -158.775
where: short stacking energy: -62.811
Base-Backbone interact. energy: -0.001
local terms energy: -63.608736
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.033 (S_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: 252
Temperature: 0.950000
Total energy: -218.896790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.896790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.964572 (E_RNA)
where:
Base-Base interactions energy: -158.368
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.166
local terms energy: -60.430993
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -224.569546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.569546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.569546 (E_RNA)
where:
Base-Base interactions energy: -165.405
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.624
local terms energy: -58.541449
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -209.631327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.688996 (E_RNA)
where:
Base-Base interactions energy: -145.354
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.107
local terms energy: -64.228084
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.058 (S_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: 252
Temperature: 1.100000
Total energy: -216.629375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.691584 (E_RNA)
where:
Base-Base interactions energy: -156.292
where: short stacking energy: -61.663
Base-Backbone interact. energy: -0.005
local terms energy: -60.395437
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.062 (S_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: 252
Temperature: 1.150000
Total energy: -205.802739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.802739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.869522 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.240
local terms energy: -62.358575
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. 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: -202.951849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.951849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.951849 (E_RNA)
where:
Base-Base interactions energy: -142.921
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.086
local terms energy: -59.944794
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -14.554
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: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -188.889470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.889470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.727762 (E_RNA)
where:
Base-Base interactions energy: -139.235
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.411
local terms energy: -56.082380
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 6.838 (S_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: 252
Temperature: 1.300000
Total energy: -182.136562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.136562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.263045 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.512
local terms energy: -53.447614
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 7.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -193.561366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.979002 (E_RNA)
where:
Base-Base interactions energy: -135.854
where: short stacking energy: -55.341
Base-Backbone interact. energy: -0.391
local terms energy: -57.733971
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -8.542
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -223.424923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.424923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434728 (E_RNA)
where:
Base-Base interactions energy: -154.258
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.076
local terms energy: -69.100824
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -229.507709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.507709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.544587 (E_RNA)
where:
Base-Base interactions energy: -166.507
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.007
local terms energy: -63.029915
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -214.405108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.405108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.495704 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -59.257
Base-Backbone interact. energy: -0.591
local terms energy: -61.697801
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.091 (S_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: 253
Temperature: 1.050000
Total energy: -207.683500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.683500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.683500 (E_RNA)
where:
Base-Base interactions energy: -144.390
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.028
local terms energy: -63.265605
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -16.112
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: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -203.906229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.906229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.949739 (E_RNA)
where:
Base-Base interactions energy: -150.499
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.019
local terms energy: -53.432087
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.044 (S_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: 253
Temperature: 1.150000
Total energy: -214.248285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248285 (E_RNA)
where:
Base-Base interactions energy: -152.499
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.003
local terms energy: -61.746302
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -201.290902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.326552 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.392
local terms energy: -57.955570
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.036 (S_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: 253
Temperature: 1.250000
Total energy: -183.595066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.595066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.109031 (E_RNA)
where:
Base-Base interactions energy: -138.828
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.448
local terms energy: -50.832985
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 6.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -180.324164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.061941 (E_RNA)
where:
Base-Base interactions energy: -129.212
where: short stacking energy: -51.573
Base-Backbone interact. energy: -1.426
local terms energy: -57.423584
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 7.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -199.550514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.652118 (E_RNA)
where:
Base-Base interactions energy: -140.006
where: short stacking energy: -58.661
Base-Backbone interact. energy: 1.707
local terms energy: -61.352678
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -234.496117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.496117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.549647 (E_RNA)
where:
Base-Base interactions energy: -171.249
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.055
local terms energy: -63.245839
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.054 (S_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: 254
Temperature: 0.950000
Total energy: -214.977089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.977089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.058146 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.010
local terms energy: -71.704947
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.081 (S_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: 254
Temperature: 1.000000
Total energy: -216.912081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.912081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.985427 (E_RNA)
where:
Base-Base interactions energy: -155.575
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.018
local terms energy: -61.392879
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -217.937903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.937903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.005358 (E_RNA)
where:
Base-Base interactions energy: -159.046
where: short stacking energy: -63.518
Base-Backbone interact. energy: 0.631
local terms energy: -59.589552
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.067 (S_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: 254
Temperature: 1.100000
Total energy: -208.124996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.124996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.124996 (E_RNA)
where:
Base-Base interactions energy: -145.067
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.001
local terms energy: -63.057138
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -14.374
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: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -203.950637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.950637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.961864 (E_RNA)
where:
Base-Base interactions energy: -141.559
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.005
local terms energy: -62.397881
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -208.060433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.060433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.229604 (E_RNA)
where:
Base-Base interactions energy: -144.176
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.216
local terms energy: -63.837846
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.169 (S_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: 254
Temperature: 1.250000
Total energy: -182.729709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.729709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.531552 (E_RNA)
where:
Base-Base interactions energy: -140.514
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.579
local terms energy: -50.438348
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 8.802 (S_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: -193.302982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.302982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.470780 (E_RNA)
where:
Base-Base interactions energy: -129.773
where: short stacking energy: -49.496
Base-Backbone interact. energy: -0.645
local terms energy: -63.053076
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.168 (S_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: 254
Temperature: 1.350000
Total energy: -185.048217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.048217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.091706 (E_RNA)
where:
Base-Base interactions energy: -138.031
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.004
local terms energy: -55.057058
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 8.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -234.702951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.702951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.713202 (E_RNA)
where:
Base-Base interactions energy: -171.572
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.009
local terms energy: -63.132709
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -213.361425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.361425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.455461 (E_RNA)
where:
Base-Base interactions energy: -149.375
where: short stacking energy: -61.737
Base-Backbone interact. energy: 0.636
local terms energy: -64.716033
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -216.892715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.892715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.978627 (E_RNA)
where:
Base-Base interactions energy: -157.115
where: short stacking energy: -63.297
Base-Backbone interact. energy: -0.001
local terms energy: -59.861779
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -210.789675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.789675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.887688 (E_RNA)
where:
Base-Base interactions energy: -144.855
where: short stacking energy: -60.622
Base-Backbone interact. energy: 0.407
local terms energy: -66.440265
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.098 (S_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: 255
Temperature: 1.100000
Total energy: -210.602826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.602826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.602826 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -59.048
Base-Backbone interact. energy: 0.812
local terms energy: -69.783002
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -214.700322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.700322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.715005 (E_RNA)
where:
Base-Base interactions energy: -150.116
where: short stacking energy: -68.009
Base-Backbone interact. energy: -0.000
local terms energy: -64.599231
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -200.609127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.609127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.610326 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.394
local terms energy: -56.629017
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.001 (S_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: -200.775671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.775671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.827346 (E_RNA)
where:
Base-Base interactions energy: -146.291
where: short stacking energy: -55.065
Base-Backbone interact. energy: 0.444
local terms energy: -54.980591
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.052 (S_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: 255
Temperature: 1.300000
Total energy: -176.984267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.984267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165224 (E_RNA)
where:
Base-Base interactions energy: -121.966
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.279
local terms energy: -62.920088
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 8.181 (S_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: 255
Temperature: 1.350000
Total energy: -173.712985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.712985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.237758 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -52.342
Base-Backbone interact. energy: -1.152
local terms energy: -50.737272
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -8.031
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 6.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -233.449195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.485419 (E_RNA)
where:
Base-Base interactions energy: -163.626
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.455
local terms energy: -69.404182
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -239.555697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.555697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.720982 (E_RNA)
where:
Base-Base interactions energy: -174.565
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.015
local terms energy: -65.141379
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -217.726050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.726050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.749558 (E_RNA)
where:
Base-Base interactions energy: -162.740
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.093
local terms energy: -54.916138
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -215.677944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.677944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.698762 (E_RNA)
where:
Base-Base interactions energy: -147.999
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.000
local terms energy: -67.699488
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.021 (S_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: 256
Temperature: 1.100000
Total energy: -207.792961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.792961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.809633 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.030
local terms energy: -62.228142
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. 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: -205.383871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.383871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410878 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.026
local terms energy: -61.419073
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.027 (S_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: -203.860068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.860068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.936519 (E_RNA)
where:
Base-Base interactions energy: -137.826
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.012
local terms energy: -66.097902
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -200.917386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.917386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.917386 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.007
local terms energy: -49.536730
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -8.050
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -190.915721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.915721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.246919 (E_RNA)
where:
Base-Base interactions energy: -133.578
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.008
local terms energy: -65.660546
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 8.331 (S_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: 256
Temperature: 1.350000
Total energy: -169.638314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.638314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.073104 (E_RNA)
where:
Base-Base interactions energy: -122.366
where: short stacking energy: -50.071
Base-Backbone interact. energy: 0.534
local terms energy: -59.240615
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 11.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -234.936840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.936840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.944028 (E_RNA)
where:
Base-Base interactions energy: -170.620
where: short stacking energy: -68.681
Base-Backbone interact. energy: -0.020
local terms energy: -64.304243
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.007 (S_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: 257
Temperature: 0.950000
Total energy: -214.854271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.854271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.886208 (E_RNA)
where:
Base-Base interactions energy: -144.628
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.060
local terms energy: -70.198751
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.032 (S_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: 257
Temperature: 1.000000
Total energy: -224.996277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.996277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.043122 (E_RNA)
where:
Base-Base interactions energy: -161.842
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.007
local terms energy: -63.193688
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -213.576146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.607316 (E_RNA)
where:
Base-Base interactions energy: -153.273
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.057
local terms energy: -60.277468
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -3.353
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -202.817009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.817009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056481 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -52.186
Base-Backbone interact. energy: -0.023
local terms energy: -61.796176
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.239 (S_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: -200.288939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.288939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.536730 (E_RNA)
where:
Base-Base interactions energy: -137.139
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.364
local terms energy: -63.033711
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. 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: -207.889055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.889055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.968239 (E_RNA)
where:
Base-Base interactions energy: -146.083
where: short stacking energy: -62.685
Base-Backbone interact. energy: -0.066
local terms energy: -61.818997
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -213.181670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.181670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.298556 (E_RNA)
where:
Base-Base interactions energy: -143.215
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.208
local terms energy: -69.874876
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.117 (S_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: 257
Temperature: 1.300000
Total energy: -177.137263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.137263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.557198 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.100
local terms energy: -60.172258
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 8.420 (S_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: 257
Temperature: 1.350000
Total energy: -177.109209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.109209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.369046 (E_RNA)
where:
Base-Base interactions energy: -123.401
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.002
local terms energy: -61.966880
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 8.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -228.644783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.644783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.644783 (E_RNA)
where:
Base-Base interactions energy: -169.779
where: short stacking energy: -67.402
Base-Backbone interact. energy: -0.043
local terms energy: -58.822352
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -15.511
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: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -217.879898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.879898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.895809 (E_RNA)
where:
Base-Base interactions energy: -148.329
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.037
local terms energy: -69.529491
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -223.015750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.015750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.122023 (E_RNA)
where:
Base-Base interactions energy: -160.771
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.003
local terms energy: -62.348877
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.106 (S_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: 258
Temperature: 1.050000
Total energy: -211.808353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.808353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.812702 (E_RNA)
where:
Base-Base interactions energy: -146.227
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.071
local terms energy: -65.515102
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -206.739263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856424 (E_RNA)
where:
Base-Base interactions energy: -141.242
where: short stacking energy: -57.402
Base-Backbone interact. energy: -1.331
local terms energy: -64.283298
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.117 (S_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: 258
Temperature: 1.150000
Total energy: -205.045912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.045912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.095483 (E_RNA)
where:
Base-Base interactions energy: -142.915
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.280
local terms energy: -61.900596
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -204.705386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.705386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.866634 (E_RNA)
where:
Base-Base interactions energy: -139.123
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.053
local terms energy: -65.690436
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. 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: -199.018681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.018681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.033543 (E_RNA)
where:
Base-Base interactions energy: -141.811
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.006
local terms energy: -57.216891
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -195.162402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.162402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.528360 (E_RNA)
where:
Base-Base interactions energy: -137.654
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.191
local terms energy: -64.683877
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 7.366 (S_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: 258
Temperature: 1.350000
Total energy: -169.643828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.643828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.164564 (E_RNA)
where:
Base-Base interactions energy: -126.328
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.504
local terms energy: -49.332613
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 6.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -237.819984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.819984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.832834 (E_RNA)
where:
Base-Base interactions energy: -177.063
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.322
local terms energy: -60.447443
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.013 (S_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: 259
Temperature: 0.950000
Total energy: -225.756475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.756475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.809560 (E_RNA)
where:
Base-Base interactions energy: -162.595
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.576
local terms energy: -62.638616
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -215.720017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.720017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.737587 (E_RNA)
where:
Base-Base interactions energy: -151.384
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.072
local terms energy: -64.281609
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -216.337247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.337247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.343813 (E_RNA)
where:
Base-Base interactions energy: -153.138
where: short stacking energy: -56.767
Base-Backbone interact. energy: -0.030
local terms energy: -63.175603
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -216.766065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.766065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.786642 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.009
local terms energy: -62.240127
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.021 (S_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: 259
Temperature: 1.150000
Total energy: -206.315307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.315307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.600369 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.846
local terms energy: -63.069844
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -193.367486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.367486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.387520 (E_RNA)
where:
Base-Base interactions energy: -138.901
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.016
local terms energy: -54.470012
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -199.056386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.056386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.173209 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.016
local terms energy: -58.443957
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -174.233755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.233755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.062139 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -50.769
Base-Backbone interact. energy: 0.864
local terms energy: -53.935576
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 6.828 (S_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: 259
Temperature: 1.350000
Total energy: -172.480977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.480977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.727778 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.811
local terms energy: -55.742984
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 9.247 (S_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: 260
Temperature: 0.900000
Total energy: -229.561959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.561959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.614463 (E_RNA)
where:
Base-Base interactions energy: -169.493
where: short stacking energy: -60.814
Base-Backbone interact. energy: -0.001
local terms energy: -60.119678
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.053 (S_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: 260
Temperature: 0.950000
Total energy: -231.285998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.285998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.285998 (E_RNA)
where:
Base-Base interactions energy: -163.079
where: short stacking energy: -63.975
Base-Backbone interact. energy: -0.012
local terms energy: -68.194800
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -208.574267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.574267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.066233 (E_RNA)
where:
Base-Base interactions energy: -142.661
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.094
local terms energy: -66.311256
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -214.819791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.819791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.827347 (E_RNA)
where:
Base-Base interactions energy: -152.132
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.201
local terms energy: -62.493842
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -209.951075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.951075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.102112 (E_RNA)
where:
Base-Base interactions energy: -142.159
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.575
local terms energy: -67.367928
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.151 (S_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: -202.737636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.737636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.823418 (E_RNA)
where:
Base-Base interactions energy: -145.811
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.103
local terms energy: -56.909280
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -205.055463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.055463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336611 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.001
local terms energy: -68.650493
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -196.614642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.614642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.619993 (E_RNA)
where:
Base-Base interactions energy: -138.415
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.273
local terms energy: -57.932749
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.005 (S_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: 260
Temperature: 1.300000
Total energy: -178.007670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.007670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.198383 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -58.287
Base-Backbone interact. energy: 0.308
local terms energy: -59.475033
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 7.191 (S_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: 260
Temperature: 1.350000
Total energy: -170.375396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.375396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.906877 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.086
local terms energy: -58.210745
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 7.531 (S_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: 261
Temperature: 0.900000
Total energy: -226.139633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139633 (E_RNA)
where:
Base-Base interactions energy: -164.750
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.001
local terms energy: -61.388870
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -16.192
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: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -217.408919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.408919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.408919 (E_RNA)
where:
Base-Base interactions energy: -160.021
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.000
local terms energy: -57.387790
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -214.391121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.391121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.447483 (E_RNA)
where:
Base-Base interactions energy: -154.176
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.000
local terms energy: -60.270998
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -205.830520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.830520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.902347 (E_RNA)
where:
Base-Base interactions energy: -140.118
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.048
local terms energy: -65.735745
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.072 (S_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: 261
Temperature: 1.100000
Total energy: -203.784983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.784983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.876652 (E_RNA)
where:
Base-Base interactions energy: -151.608
where: short stacking energy: -66.276
Base-Backbone interact. energy: -0.037
local terms energy: -52.231642
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -7.352
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -201.362215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.362215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.479287 (E_RNA)
where:
Base-Base interactions energy: -140.343
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.303
local terms energy: -60.832714
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.117 (S_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: -198.115947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.115947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.206697 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.041
local terms energy: -60.653208
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.091 (S_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: 261
Temperature: 1.250000
Total energy: -182.902421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.902421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020663 (E_RNA)
where:
Base-Base interactions energy: -129.934
where: short stacking energy: -54.897
Base-Backbone interact. energy: 0.060
local terms energy: -60.146106
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 7.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -191.890355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.890355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104290 (E_RNA)
where:
Base-Base interactions energy: -145.494
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.434
local terms energy: -46.176194
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.214 (S_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: 261
Temperature: 1.350000
Total energy: -172.093772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.093772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.609192 (E_RNA)
where:
Base-Base interactions energy: -128.959
where: short stacking energy: -49.199
Base-Backbone interact. energy: -0.234
local terms energy: -50.416212
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 7.515 (S_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: 262
Temperature: 0.900000
Total energy: -228.693305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.693305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.734831 (E_RNA)
where:
Base-Base interactions energy: -155.482
where: short stacking energy: -62.654
Base-Backbone interact. energy: -0.000
local terms energy: -73.252770
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.042 (S_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: -218.006637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.006637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.007261 (E_RNA)
where:
Base-Base interactions energy: -160.785
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.021
local terms energy: -57.201728
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -217.419527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.419527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.511002 (E_RNA)
where:
Base-Base interactions energy: -158.069
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.004
local terms energy: -59.438090
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.091 (S_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: 262
Temperature: 1.050000
Total energy: -214.864119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.864119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.007335 (E_RNA)
where:
Base-Base interactions energy: -150.591
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.696
local terms energy: -63.719825
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -211.926332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.926332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.039269 (E_RNA)
where:
Base-Base interactions energy: -148.331
where: short stacking energy: -58.842
Base-Backbone interact. energy: 0.283
local terms energy: -63.990755
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.113 (S_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: 262
Temperature: 1.150000
Total energy: -196.812940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.812940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.835753 (E_RNA)
where:
Base-Base interactions energy: -135.309
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.002
local terms energy: -61.524097
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.023 (S_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: 262
Temperature: 1.200000
Total energy: -200.995846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.995846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.316398 (E_RNA)
where:
Base-Base interactions energy: -134.694
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.000
local terms energy: -66.621854
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.321 (S_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: 262
Temperature: 1.250000
Total energy: -185.647381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.647381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.564686 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.077
local terms energy: -59.233773
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 5.917 (S_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: 262
Temperature: 1.300000
Total energy: -184.890166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.890166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.053499 (E_RNA)
where:
Base-Base interactions energy: -136.382
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.258
local terms energy: -55.412970
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 7.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -190.812978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.812978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.864663 (E_RNA)
where:
Base-Base interactions energy: -138.306
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.008
local terms energy: -52.550556
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.052 (S_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: 263
Temperature: 0.900000
Total energy: -214.916883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.916883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.937743 (E_RNA)
where:
Base-Base interactions energy: -159.833
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.048
local terms energy: -55.057493
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.021 (S_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: 263
Temperature: 0.950000
Total energy: -212.721868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856259 (E_RNA)
where:
Base-Base interactions energy: -144.903
where: short stacking energy: -66.403
Base-Backbone interact. energy: -0.011
local terms energy: -67.942739
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -211.680005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.680005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.795402 (E_RNA)
where:
Base-Base interactions energy: -151.347
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.012
local terms energy: -60.436696
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.115 (S_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: 263
Temperature: 1.050000
Total energy: -211.694613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.694613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.756676 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.000
local terms energy: -64.674009
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -210.610593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.610593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611100 (E_RNA)
where:
Base-Base interactions energy: -144.314
where: short stacking energy: -51.964
Base-Backbone interact. energy: -0.215
local terms energy: -66.082409
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -198.886872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.886872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.004394 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.043
local terms energy: -57.585058
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.118 (S_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: 263
Temperature: 1.200000
Total energy: -197.081714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.081714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.158813 (E_RNA)
where:
Base-Base interactions energy: -134.982
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.821
local terms energy: -61.355206
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.077 (S_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: 263
Temperature: 1.250000
Total energy: -179.080491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.080491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.687436 (E_RNA)
where:
Base-Base interactions energy: -127.594
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.521
local terms energy: -58.571800
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 7.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -188.770177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.770177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.255779 (E_RNA)
where:
Base-Base interactions energy: -138.561
where: short stacking energy: -66.065
Base-Backbone interact. energy: -0.152
local terms energy: -57.541986
where:
bonds (distance) C4'-P energy: -6.293
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 7.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -189.086937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.086937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.135003 (E_RNA)
where:
Base-Base interactions energy: -130.420
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.191
local terms energy: -58.523542
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -219.513548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.513548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613102 (E_RNA)
where:
Base-Base interactions energy: -153.674
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.097
local terms energy: -65.841900
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -218.832416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.832416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.905087 (E_RNA)
where:
Base-Base interactions energy: -155.024
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.000
local terms energy: -63.881051
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.073 (S_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: 264
Temperature: 1.000000
Total energy: -224.957980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.957980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.997739 (E_RNA)
where:
Base-Base interactions energy: -165.945
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.012
local terms energy: -59.041339
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. 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: -221.405595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.405595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.410019 (E_RNA)
where:
Base-Base interactions energy: -156.395
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.010
local terms energy: -65.004209
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.004 (S_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: 264
Temperature: 1.100000
Total energy: -213.749328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.749328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.771008 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.238
local terms energy: -66.164867
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -210.717159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.717159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.750965 (E_RNA)
where:
Base-Base interactions energy: -156.401
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.000
local terms energy: -54.349455
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.034 (S_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: 264
Temperature: 1.200000
Total energy: -180.616041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.616041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.246813 (E_RNA)
where:
Base-Base interactions energy: -132.622
where: short stacking energy: -56.962
Base-Backbone interact. energy: -0.327
local terms energy: -54.298108
where:
bonds (distance) C4'-P energy: -4.935
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 6.631 (S_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: 264
Temperature: 1.250000
Total energy: -204.279132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.279132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.280169 (E_RNA)
where:
Base-Base interactions energy: -150.099
where: short stacking energy: -55.164
Base-Backbone interact. energy: 0.550
local terms energy: -54.731249
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -197.082096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.082096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.239524 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.302
local terms energy: -48.138343
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.157 (S_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: 264
Temperature: 1.350000
Total energy: -177.411937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.411937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.826857 (E_RNA)
where:
Base-Base interactions energy: -138.068
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.771
local terms energy: -46.988309
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -5.527
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 8.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -219.962572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.962572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.962572 (E_RNA)
where:
Base-Base interactions energy: -150.622
where: short stacking energy: -62.056
Base-Backbone interact. energy: 0.133
local terms energy: -69.473355
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -218.498330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.498330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.550885 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -66.044
Base-Backbone interact. energy: -0.001
local terms energy: -62.378402
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.053 (S_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: 265
Temperature: 1.000000
Total energy: -235.647195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.647195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.647195 (E_RNA)
where:
Base-Base interactions energy: -178.023
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.121
local terms energy: -57.503594
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -2.306
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -208.813522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.813522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.972475 (E_RNA)
where:
Base-Base interactions energy: -149.336
where: short stacking energy: -61.899
Base-Backbone interact. energy: -0.017
local terms energy: -59.619472
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. 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: -227.866444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.866444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.875803 (E_RNA)
where:
Base-Base interactions energy: -160.011
where: short stacking energy: -60.618
Base-Backbone interact. energy: -0.001
local terms energy: -67.863528
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.009 (S_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: 265
Temperature: 1.150000
Total energy: -196.731085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791626 (E_RNA)
where:
Base-Base interactions energy: -139.989
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.287
local terms energy: -64.515427
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 8.061 (S_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: 265
Temperature: 1.200000
Total energy: -195.087046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.087046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.150871 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.010
local terms energy: -55.744962
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -202.950212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.651212 (E_RNA)
where:
Base-Base interactions energy: -138.042
where: short stacking energy: -61.979
Base-Backbone interact. energy: 0.986
local terms energy: -66.594656
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.701 (S_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: 265
Temperature: 1.300000
Total energy: -199.573329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.573329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.684111 (E_RNA)
where:
Base-Base interactions energy: -143.597
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.075
local terms energy: -56.011966
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.111 (S_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: 265
Temperature: 1.350000
Total energy: -176.916739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.916739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.139688 (E_RNA)
where:
Base-Base interactions energy: -129.406
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.711
local terms energy: -54.022064
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 7.223 (S_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: 266
Temperature: 0.900000
Total energy: -228.675629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.675629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.696655 (E_RNA)
where:
Base-Base interactions energy: -164.194
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.573
local terms energy: -63.929786
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -216.941130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.941130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.953850 (E_RNA)
where:
Base-Base interactions energy: -152.018
where: short stacking energy: -63.363
Base-Backbone interact. energy: -0.001
local terms energy: -64.934580
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -227.420636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.420636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.420636 (E_RNA)
where:
Base-Base interactions energy: -163.109
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.019
local terms energy: -64.293138
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -213.403324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.403324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.448512 (E_RNA)
where:
Base-Base interactions energy: -149.469
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.287
local terms energy: -63.692426
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. 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: -211.126360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.295129 (E_RNA)
where:
Base-Base interactions energy: -153.763
where: short stacking energy: -65.230
Base-Backbone interact. energy: 0.954
local terms energy: -58.485908
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.169 (S_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: 266
Temperature: 1.150000
Total energy: -194.574569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.574569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182235 (E_RNA)
where:
Base-Base interactions energy: -139.913
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.021
local terms energy: -61.248194
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 6.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -195.966247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.966247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.971307 (E_RNA)
where:
Base-Base interactions energy: -140.186
where: short stacking energy: -59.494
Base-Backbone interact. energy: 0.200
local terms energy: -55.985818
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -200.914508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.914508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.970708 (E_RNA)
where:
Base-Base interactions energy: -141.965
where: short stacking energy: -58.984
Base-Backbone interact. energy: 1.121
local terms energy: -60.126073
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -198.497639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.497639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.675101 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.150
local terms energy: -55.470075
where:
bonds (distance) C4'-P energy: -3.496
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.177 (S_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: 266
Temperature: 1.350000
Total energy: -180.600922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.600922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.448799 (E_RNA)
where:
Base-Base interactions energy: -120.649
where: short stacking energy: -55.088
Base-Backbone interact. energy: -2.120
local terms energy: -64.679873
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 6.848 (S_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: 267
Temperature: 0.900000
Total energy: -212.659316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.659316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.677202 (E_RNA)
where:
Base-Base interactions energy: -151.312
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.060
local terms energy: -61.305104
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -230.883258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.883258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.921184 (E_RNA)
where:
Base-Base interactions energy: -163.155
where: short stacking energy: -65.026
Base-Backbone interact. energy: -0.003
local terms energy: -67.763263
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -213.952650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.952650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.955715 (E_RNA)
where:
Base-Base interactions energy: -150.015
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.002
local terms energy: -63.938882
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.003 (S_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: 267
Temperature: 1.050000
Total energy: -207.774025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.855150 (E_RNA)
where:
Base-Base interactions energy: -144.519
where: short stacking energy: -57.572
Base-Backbone interact. energy: 0.666
local terms energy: -64.002794
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -207.347086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.347086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.405103 (E_RNA)
where:
Base-Base interactions energy: -143.738
where: short stacking energy: -52.713
Base-Backbone interact. energy: -0.174
local terms energy: -63.493064
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.058 (S_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: 267
Temperature: 1.150000
Total energy: -188.081829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.081829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.848166 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -54.602
Base-Backbone interact. energy: 0.456
local terms energy: -63.246213
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 5.766 (S_DIST_RNA)
chem. 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: -195.706862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.706862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.790458 (E_RNA)
where:
Base-Base interactions energy: -137.561
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.351
local terms energy: -57.878156
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -201.816693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.816693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.896874 (E_RNA)
where:
Base-Base interactions energy: -147.345
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.001
local terms energy: -54.551445
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -185.680845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.680845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.773017 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.067
local terms energy: -56.234920
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.092 (S_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: 267
Temperature: 1.350000
Total energy: -175.829317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.829317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.812377 (E_RNA)
where:
Base-Base interactions energy: -123.064
where: short stacking energy: -54.583
Base-Backbone interact. energy: -0.528
local terms energy: -60.220870
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 7.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -222.359278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.359278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.368609 (E_RNA)
where:
Base-Base interactions energy: -158.469
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.004
local terms energy: -63.895254
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.009 (S_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: 268
Temperature: 0.950000
Total energy: -219.026845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.026845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.092450 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.000
local terms energy: -67.264180
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.066 (S_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: 268
Temperature: 1.000000
Total energy: -212.865444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.865444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.865444 (E_RNA)
where:
Base-Base interactions energy: -148.373
where: short stacking energy: -54.401
Base-Backbone interact. energy: -0.158
local terms energy: -64.334143
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -212.793613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.793613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.834550 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.004
local terms energy: -63.613910
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -212.970727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.970727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.060345 (E_RNA)
where:
Base-Base interactions energy: -145.537
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.000
local terms energy: -67.523602
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.090 (S_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: 268
Temperature: 1.150000
Total energy: -193.599567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.599567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.494666 (E_RNA)
where:
Base-Base interactions energy: -142.187
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.008
local terms energy: -58.299315
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -9.311
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 6.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -202.624979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.624979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.725084 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.002
local terms energy: -57.265246
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.100 (S_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: 268
Temperature: 1.250000
Total energy: -201.075976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.091732 (E_RNA)
where:
Base-Base interactions energy: -155.348
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.002
local terms energy: -45.741054
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: 0.586
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.016 (S_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: 268
Temperature: 1.300000
Total energy: -170.834753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.834753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.366523 (E_RNA)
where:
Base-Base interactions energy: -123.118
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.604
local terms energy: -54.643869
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 7.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -182.492911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.492911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.580414 (E_RNA)
where:
Base-Base interactions energy: -132.183
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.087
local terms energy: -50.310110
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -226.716790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.716790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.731465 (E_RNA)
where:
Base-Base interactions energy: -159.688
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.001
local terms energy: -67.042232
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.015 (S_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: 269
Temperature: 0.950000
Total energy: -227.484859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.484859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.497882 (E_RNA)
where:
Base-Base interactions energy: -170.010
where: short stacking energy: -70.673
Base-Backbone interact. energy: -0.002
local terms energy: -57.485435
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.013 (S_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: 269
Temperature: 1.000000
Total energy: -213.640636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.640636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.722243 (E_RNA)
where:
Base-Base interactions energy: -143.721
where: short stacking energy: -63.776
Base-Backbone interact. energy: -0.003
local terms energy: -69.998603
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -206.553263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.553263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.553263 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -57.889
Base-Backbone interact. energy: -0.013
local terms energy: -65.260520
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -206.423040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.423040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.423898 (E_RNA)
where:
Base-Base interactions energy: -142.796
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.519
local terms energy: -63.109119
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.001 (S_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: 269
Temperature: 1.150000
Total energy: -201.064708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.064708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.134207 (E_RNA)
where:
Base-Base interactions energy: -136.961
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.319
local terms energy: -63.854717
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.069 (S_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: 269
Temperature: 1.200000
Total energy: -181.720099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.720099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.227022 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -56.942
Base-Backbone interact. energy: -1.439
local terms energy: -55.148527
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 7.507 (S_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: 269
Temperature: 1.250000
Total energy: -172.161138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.161138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.246795 (E_RNA)
where:
Base-Base interactions energy: -118.447
where: short stacking energy: -48.673
Base-Backbone interact. energy: -0.010
local terms energy: -61.790201
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 8.086 (S_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: 269
Temperature: 1.300000
Total energy: -201.834606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834606 (E_RNA)
where:
Base-Base interactions energy: -140.296
where: short stacking energy: -54.950
Base-Backbone interact. energy: -0.295
local terms energy: -61.243768
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -198.023705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.023705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.113508 (E_RNA)
where:
Base-Base interactions energy: -139.160
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.657
local terms energy: -58.296425
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -231.551680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.551680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.617816 (E_RNA)
where:
Base-Base interactions energy: -168.935
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.000
local terms energy: -62.682298
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.066 (S_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: 270
Temperature: 0.950000
Total energy: -218.711048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.711048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.824026 (E_RNA)
where:
Base-Base interactions energy: -157.482
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.017
local terms energy: -61.324805
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -209.620791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.620791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.823399 (E_RNA)
where:
Base-Base interactions energy: -151.570
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.280
local terms energy: -57.973129
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.203 (S_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: 270
Temperature: 1.050000
Total energy: -232.625697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.625697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.650907 (E_RNA)
where:
Base-Base interactions energy: -166.048
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.012
local terms energy: -66.590523
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.025 (S_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: 270
Temperature: 1.100000
Total energy: -206.197462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.197462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.292107 (E_RNA)
where:
Base-Base interactions energy: -153.242
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.018
local terms energy: -53.032835
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -10.561
Dist. restrs. and SS energy: 0.095 (S_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: 270
Temperature: 1.150000
Total energy: -210.348613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.348613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435305 (E_RNA)
where:
Base-Base interactions energy: -155.585
where: short stacking energy: -60.498
Base-Backbone interact. energy: -0.018
local terms energy: -54.832521
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.087 (S_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: 270
Temperature: 1.200000
Total energy: -188.763555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.763555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.835618 (E_RNA)
where:
Base-Base interactions energy: -133.008
where: short stacking energy: -55.177
Base-Backbone interact. energy: -0.076
local terms energy: -63.751124
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 8.072 (S_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: 270
Temperature: 1.250000
Total energy: -179.494208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.494208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.633333 (E_RNA)
where:
Base-Base interactions energy: -129.590
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.639
local terms energy: -58.403846
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 9.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -188.709728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.709728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.842229 (E_RNA)
where:
Base-Base interactions energy: -133.067
where: short stacking energy: -49.193
Base-Backbone interact. energy: -0.197
local terms energy: -55.577786
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.133 (S_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: 270
Temperature: 1.350000
Total energy: -192.994669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.994669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.228768 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -53.911
Base-Backbone interact. energy: -0.242
local terms energy: -60.477381
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -217.711490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.711490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.751203 (E_RNA)
where:
Base-Base interactions energy: -156.134
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.300
local terms energy: -61.316928
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -219.101717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.101717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.167564 (E_RNA)
where:
Base-Base interactions energy: -153.025
where: short stacking energy: -64.141
Base-Backbone interact. energy: 0.493
local terms energy: -66.634953
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.066 (S_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: 271
Temperature: 1.000000
Total energy: -216.726212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.726212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.783801 (E_RNA)
where:
Base-Base interactions energy: -148.693
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.003
local terms energy: -68.087575
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.058 (S_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: 271
Temperature: 1.050000
Total energy: -210.031747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.031747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.069016 (E_RNA)
where:
Base-Base interactions energy: -150.441
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.019
local terms energy: -59.609304
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.037 (S_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: 271
Temperature: 1.100000
Total energy: -214.005438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.005438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.174067 (E_RNA)
where:
Base-Base interactions energy: -157.340
where: short stacking energy: -59.103
Base-Backbone interact. energy: 0.351
local terms energy: -57.184440
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.169 (S_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: 271
Temperature: 1.150000
Total energy: -203.589204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.589204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.656240 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.098
local terms energy: -60.461352
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.067 (S_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: 271
Temperature: 1.200000
Total energy: -181.501004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.501004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.802776 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -57.100
Base-Backbone interact. energy: 0.960
local terms energy: -54.678130
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 7.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -195.023376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.023376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.189364 (E_RNA)
where:
Base-Base interactions energy: -137.292
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.091
local terms energy: -57.805591
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.166 (S_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: 271
Temperature: 1.300000
Total energy: -176.586403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.586403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.805781 (E_RNA)
where:
Base-Base interactions energy: -129.542
where: short stacking energy: -53.090
Base-Backbone interact. energy: 2.044
local terms energy: -57.308359
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 8.219 (S_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: 271
Temperature: 1.350000
Total energy: -205.207685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.207685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336276 (E_RNA)
where:
Base-Base interactions energy: -142.988
where: short stacking energy: -57.564
Base-Backbone interact. energy: -0.172
local terms energy: -62.176118
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.129 (S_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: 272
Temperature: 0.900000
Total energy: -224.007888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.007888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.018773 (E_RNA)
where:
Base-Base interactions energy: -163.946
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.003
local terms energy: -60.069987
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.011 (S_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: 272
Temperature: 0.950000
Total energy: -215.503481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.503481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.530385 (E_RNA)
where:
Base-Base interactions energy: -160.002
where: short stacking energy: -63.094
Base-Backbone interact. energy: 1.236
local terms energy: -56.764175
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.027 (S_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: 272
Temperature: 1.000000
Total energy: -213.169654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.169654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.169654 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -65.749
Base-Backbone interact. energy: -0.000
local terms energy: -61.958455
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -210.963015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.239854 (E_RNA)
where:
Base-Base interactions energy: -144.057
where: short stacking energy: -65.741
Base-Backbone interact. energy: -0.007
local terms energy: -67.176147
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.277 (S_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: 272
Temperature: 1.100000
Total energy: -216.289863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.426747 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.051
local terms energy: -65.325384
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.137 (S_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: 272
Temperature: 1.150000
Total energy: -212.848149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.848149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.886465 (E_RNA)
where:
Base-Base interactions energy: -148.709
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.002
local terms energy: -64.175445
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.038 (S_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: 272
Temperature: 1.200000
Total energy: -214.808289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.808289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.809932 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.079
local terms energy: -65.914448
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.002 (S_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: 272
Temperature: 1.250000
Total energy: -180.887060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.887060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.449860 (E_RNA)
where:
Base-Base interactions energy: -128.568
where: short stacking energy: -53.646
Base-Backbone interact. energy: -0.431
local terms energy: -58.450186
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 6.563 (S_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: 272
Temperature: 1.300000
Total energy: -198.997413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.114384 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -52.183
Base-Backbone interact. energy: 0.190
local terms energy: -63.525716
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.117 (S_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: 272
Temperature: 1.350000
Total energy: -174.492151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.492151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.689335 (E_RNA)
where:
Base-Base interactions energy: -133.902
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.095
local terms energy: -47.692712
where:
bonds (distance) C4'-P energy: -7.372
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 7.197 (S_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: 273
Temperature: 0.900000
Total energy: -220.049121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.049121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065152 (E_RNA)
where:
Base-Base interactions energy: -153.558
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.133
local terms energy: -66.374013
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.016 (S_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: 273
Temperature: 0.950000
Total energy: -216.041306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.041306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236537 (E_RNA)
where:
Base-Base interactions energy: -150.453
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.002
local terms energy: -65.781446
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -231.172261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.172261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.172261 (E_RNA)
where:
Base-Base interactions energy: -174.659
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.283
local terms energy: -56.229953
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -211.165371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.165371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.409290 (E_RNA)
where:
Base-Base interactions energy: -147.927
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.003
local terms energy: -63.480028
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.244 (S_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: 273
Temperature: 1.100000
Total energy: -200.823551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.823551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.823551 (E_RNA)
where:
Base-Base interactions energy: -141.501
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.030
local terms energy: -59.292387
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -13.822
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: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -204.874880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.874880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.146920 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.266
local terms energy: -63.528837
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.272 (S_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: 273
Temperature: 1.200000
Total energy: -201.061905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.061905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.238671 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.275
local terms energy: -49.648306
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.177 (S_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: 273
Temperature: 1.250000
Total energy: -199.115967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.115967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.252337 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -53.278
Base-Backbone interact. energy: 1.294
local terms energy: -57.047786
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.136 (S_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: 273
Temperature: 1.300000
Total energy: -185.532105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.532105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.998765 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.628
local terms energy: -53.606569
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 8.467 (S_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: 273
Temperature: 1.350000
Total energy: -166.077328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.148188 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -55.853
Base-Backbone interact. energy: 0.299
local terms energy: -47.147225
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 8.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -216.046203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.046203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222980 (E_RNA)
where:
Base-Base interactions energy: -152.829
where: short stacking energy: -61.457
Base-Backbone interact. energy: 4.022
local terms energy: -67.415126
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.177 (S_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: 274
Temperature: 0.950000
Total energy: -213.470636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.470636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534632 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -63.814
Base-Backbone interact. energy: 0.379
local terms energy: -61.266052
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.064 (S_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: 274
Temperature: 1.000000
Total energy: -222.196052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.196052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.271388 (E_RNA)
where:
Base-Base interactions energy: -166.549
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.419
local terms energy: -55.303444
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -217.123394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.123394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.165871 (E_RNA)
where:
Base-Base interactions energy: -161.094
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.291
local terms energy: -55.780655
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.042 (S_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: 274
Temperature: 1.100000
Total energy: -206.620379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.620379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657346 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.002
local terms energy: -56.895225
where:
bonds (distance) C4'-P energy: -4.474
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.037 (S_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: 274
Temperature: 1.150000
Total energy: -202.506833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.506833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.573494 (E_RNA)
where:
Base-Base interactions energy: -146.394
where: short stacking energy: -52.121
Base-Backbone interact. energy: -0.072
local terms energy: -56.108194
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.067 (S_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: 274
Temperature: 1.200000
Total energy: -206.735752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.749123 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -65.172
Base-Backbone interact. energy: -0.486
local terms energy: -59.597466
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -198.828119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.828119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.916895 (E_RNA)
where:
Base-Base interactions energy: -147.580
where: short stacking energy: -54.174
Base-Backbone interact. energy: 0.449
local terms energy: -51.785006
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.089 (S_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: 274
Temperature: 1.300000
Total energy: -182.296145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.296145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.987811 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.152
local terms energy: -61.280141
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 8.692 (S_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: 274
Temperature: 1.350000
Total energy: -176.917431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.917431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.178746 (E_RNA)
where:
Base-Base interactions energy: -130.162
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.108
local terms energy: -54.908763
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 8.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -216.950976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.950976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.048247 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.002
local terms energy: -63.599506
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.097 (S_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: 275
Temperature: 0.950000
Total energy: -215.650725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.650725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.828619 (E_RNA)
where:
Base-Base interactions energy: -156.148
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.030
local terms energy: -59.650580
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.178 (S_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: 275
Temperature: 1.000000
Total energy: -228.192635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.192635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.192635 (E_RNA)
where:
Base-Base interactions energy: -169.465
where: short stacking energy: -64.578
Base-Backbone interact. energy: -0.016
local terms energy: -58.711441
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -14.184
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: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -216.833099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.833099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886272 (E_RNA)
where:
Base-Base interactions energy: -165.754
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.104
local terms energy: -51.028339
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -209.629620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.629620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.710570 (E_RNA)
where:
Base-Base interactions energy: -139.576
where: short stacking energy: -56.086
Base-Backbone interact. energy: 0.091
local terms energy: -70.225233
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.081 (S_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: 275
Temperature: 1.150000
Total energy: -209.069008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.137746 (E_RNA)
where:
Base-Base interactions energy: -151.544
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.389
local terms energy: -57.204593
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. 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: -213.220698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.220698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.266624 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.000
local terms energy: -56.984062
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -196.425714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.425714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.696003 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -56.156
Base-Backbone interact. energy: -0.016
local terms energy: -53.726447
where:
bonds (distance) C4'-P energy: -6.790
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.270 (S_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: 275
Temperature: 1.300000
Total energy: -172.385559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.385559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431981 (E_RNA)
where:
Base-Base interactions energy: -127.673
where: short stacking energy: -53.138
Base-Backbone interact. energy: -0.050
local terms energy: -52.708990
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 8.046 (S_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: 275
Temperature: 1.350000
Total energy: -172.633667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.633667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.618941 (E_RNA)
where:
Base-Base interactions energy: -119.370
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.511
local terms energy: -59.737876
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 6.985 (S_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: 276
Temperature: 0.900000
Total energy: -227.421179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.421179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.433279 (E_RNA)
where:
Base-Base interactions energy: -167.755
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.055
local terms energy: -59.623321
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -215.893383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.893383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.893383 (E_RNA)
where:
Base-Base interactions energy: -152.456
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.080
local terms energy: -63.357434
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -12.934
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: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -206.235241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.266410 (E_RNA)
where:
Base-Base interactions energy: -147.053
where: short stacking energy: -51.457
Base-Backbone interact. energy: -0.287
local terms energy: -58.926110
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.031 (S_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: 276
Temperature: 1.050000
Total energy: -222.080985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.080985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.235646 (E_RNA)
where:
Base-Base interactions energy: -165.004
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.001
local terms energy: -57.230266
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.155 (S_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: 276
Temperature: 1.100000
Total energy: -211.657064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.657064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.739063 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.000
local terms energy: -63.738831
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -203.070968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.070968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.194663 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -51.907
Base-Backbone interact. energy: -0.139
local terms energy: -58.282352
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -199.686455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.686455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.745423 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.129
local terms energy: -59.180719
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. 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: -198.247019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.247019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.247019 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.020
local terms energy: -55.211075
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -167.523536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.523536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.771487 (E_RNA)
where:
Base-Base interactions energy: -122.858
where: short stacking energy: -47.781
Base-Backbone interact. energy: 0.175
local terms energy: -52.088068
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 7.248 (S_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: 276
Temperature: 1.350000
Total energy: -170.943720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.943720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.872985 (E_RNA)
where:
Base-Base interactions energy: -117.864
where: short stacking energy: -53.507
Base-Backbone interact. energy: 0.692
local terms energy: -61.700536
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 7.929 (S_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: 277
Temperature: 0.900000
Total energy: -227.219803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.219803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.235557 (E_RNA)
where:
Base-Base interactions energy: -168.530
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.032
local terms energy: -58.673242
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.016 (S_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: -212.527221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.527221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.527221 (E_RNA)
where:
Base-Base interactions energy: -146.802
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.734
local terms energy: -64.991216
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.013
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: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -215.774138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.774138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.846561 (E_RNA)
where:
Base-Base interactions energy: -152.203
where: short stacking energy: -67.445
Base-Backbone interact. energy: -0.008
local terms energy: -63.635433
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.072 (S_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: 277
Temperature: 1.050000
Total energy: -204.113802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.113802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.113802 (E_RNA)
where:
Base-Base interactions energy: -146.790
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.025
local terms energy: -57.298955
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -10.507
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -211.439354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.439354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.439354 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.016
local terms energy: -66.491246
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -16.191
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: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -201.619764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.619764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651987 (E_RNA)
where:
Base-Base interactions energy: -141.498
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.026
local terms energy: -60.127463
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.032 (S_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: 277
Temperature: 1.200000
Total energy: -199.553218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.553218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.616021 (E_RNA)
where:
Base-Base interactions energy: -134.564
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.000
local terms energy: -65.051754
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -196.806861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.806861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.180765 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.141
local terms energy: -62.464400
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -165.976177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.976177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.310839 (E_RNA)
where:
Base-Base interactions energy: -117.484
where: short stacking energy: -45.807
Base-Backbone interact. energy: -0.050
local terms energy: -56.777257
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 8.335 (S_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: 277
Temperature: 1.350000
Total energy: -173.494624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.494624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.171458 (E_RNA)
where:
Base-Base interactions energy: -123.811
where: short stacking energy: -49.770
Base-Backbone interact. energy: -1.838
local terms energy: -56.522301
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 8.677 (S_DIST_RNA)
chem. 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: -217.868446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.868446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.921322 (E_RNA)
where:
Base-Base interactions energy: -155.122
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.001
local terms energy: -62.798889
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -227.782409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.782409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.800717 (E_RNA)
where:
Base-Base interactions energy: -166.713
where: short stacking energy: -66.835
Base-Backbone interact. energy: -0.002
local terms energy: -61.085574
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.018 (S_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: 278
Temperature: 1.000000
Total energy: -222.550932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.550932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.550932 (E_RNA)
where:
Base-Base interactions energy: -161.251
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.024
local terms energy: -61.275384
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -15.982
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -222.989289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.989289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.032960 (E_RNA)
where:
Base-Base interactions energy: -159.159
where: short stacking energy: -61.595
Base-Backbone interact. energy: 0.053
local terms energy: -63.927636
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.044 (S_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: 278
Temperature: 1.100000
Total energy: -219.814560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.837137 (E_RNA)
where:
Base-Base interactions energy: -161.918
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.376
local terms energy: -57.542616
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. 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: -203.652253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.652253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.793687 (E_RNA)
where:
Base-Base interactions energy: -141.647
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.001
local terms energy: -62.146348
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -208.505215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.505215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.742444 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.001
local terms energy: -64.183747
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -198.933741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.933741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.972135 (E_RNA)
where:
Base-Base interactions energy: -136.862
where: short stacking energy: -51.930
Base-Backbone interact. energy: -0.002
local terms energy: -62.107938
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.038 (S_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: 278
Temperature: 1.300000
Total energy: -183.529287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.529287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.216272 (E_RNA)
where:
Base-Base interactions energy: -136.634
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.003
local terms energy: -55.579502
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 8.687 (S_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: 278
Temperature: 1.350000
Total energy: -170.975044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.975044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094043 (E_RNA)
where:
Base-Base interactions energy: -125.650
where: short stacking energy: -53.612
Base-Backbone interact. energy: -2.259
local terms energy: -51.185082
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 8.119 (S_DIST_RNA)
chem. 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: -220.300716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.300716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.335417 (E_RNA)
where:
Base-Base interactions energy: -151.128
where: short stacking energy: -66.964
Base-Backbone interact. energy: -0.000
local terms energy: -69.206781
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.035 (S_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: 279
Temperature: 0.950000
Total energy: -219.359753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.359753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.359753 (E_RNA)
where:
Base-Base interactions energy: -152.015
where: short stacking energy: -61.073
Base-Backbone interact. energy: -0.214
local terms energy: -67.131036
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -226.626598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.626598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.635309 (E_RNA)
where:
Base-Base interactions energy: -166.975
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.001
local terms energy: -59.659495
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -213.052504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.052504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184721 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.001
local terms energy: -65.263995
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.132 (S_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: 279
Temperature: 1.100000
Total energy: -220.772449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.772449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.772449 (E_RNA)
where:
Base-Base interactions energy: -165.499
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.051
local terms energy: -55.222949
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -205.453816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.453816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.493143 (E_RNA)
where:
Base-Base interactions energy: -142.967
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.039
local terms energy: -62.486913
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -205.752489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.752489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.770500 (E_RNA)
where:
Base-Base interactions energy: -145.765
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.001
local terms energy: -60.004957
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -8.464
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -198.743055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.743055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.921250 (E_RNA)
where:
Base-Base interactions energy: -137.406
where: short stacking energy: -55.700
Base-Backbone interact. energy: 1.419
local terms energy: -62.934037
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.178 (S_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: 279
Temperature: 1.300000
Total energy: -187.490620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.490620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.291411 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -53.706
Base-Backbone interact. energy: -0.199
local terms energy: -59.101317
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 7.801 (S_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: 279
Temperature: 1.350000
Total energy: -174.085200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.085200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.888144 (E_RNA)
where:
Base-Base interactions energy: -121.207
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.239
local terms energy: -59.442394
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 6.803 (S_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: 280
Temperature: 0.900000
Total energy: -225.751162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.751162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.790484 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -66.102
Base-Backbone interact. energy: -0.158
local terms energy: -71.646628
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.039 (S_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: -219.653063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.653063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.657779 (E_RNA)
where:
Base-Base interactions energy: -160.865
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.646
local terms energy: -58.146590
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.005 (S_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: 280
Temperature: 1.000000
Total energy: -230.876064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.876064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.898301 (E_RNA)
where:
Base-Base interactions energy: -165.933
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.410
local terms energy: -64.555501
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -213.829789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.829789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886701 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -59.579
Base-Backbone interact. energy: 0.471
local terms energy: -66.754540
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.057 (S_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: 280
Temperature: 1.100000
Total energy: -204.481697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.481697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.607827 (E_RNA)
where:
Base-Base interactions energy: -139.979
where: short stacking energy: -58.355
Base-Backbone interact. energy: -0.026
local terms energy: -64.603345
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.126 (S_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: 280
Temperature: 1.150000
Total energy: -213.723964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.723964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.723964 (E_RNA)
where:
Base-Base interactions energy: -156.850
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.020
local terms energy: -56.854010
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -9.226
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -2.306
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -202.980618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.980618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.045281 (E_RNA)
where:
Base-Base interactions energy: -136.921
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.638
local terms energy: -65.486338
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -206.478271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.478271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.552727 (E_RNA)
where:
Base-Base interactions energy: -147.246
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.004
local terms energy: -59.303025
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -5.881
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.074 (S_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: 280
Temperature: 1.300000
Total energy: -173.989614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.989614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.439359 (E_RNA)
where:
Base-Base interactions energy: -120.661
where: short stacking energy: -47.513
Base-Backbone interact. energy: -0.169
local terms energy: -60.609132
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 7.450 (S_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: 280
Temperature: 1.350000
Total energy: -175.687234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.687234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.510393 (E_RNA)
where:
Base-Base interactions energy: -129.291
where: short stacking energy: -53.778
Base-Backbone interact. energy: 0.398
local terms energy: -53.617535
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 6.823 (S_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: 281
Temperature: 0.900000
Total energy: -220.167102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.167102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.171431 (E_RNA)
where:
Base-Base interactions energy: -153.401
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.083
local terms energy: -66.687618
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.004 (S_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: 281
Temperature: 0.950000
Total energy: -230.673768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.673768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.673768 (E_RNA)
where:
Base-Base interactions energy: -169.568
where: short stacking energy: -67.910
Base-Backbone interact. energy: -0.195
local terms energy: -60.910301
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -1.962
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -224.879363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.879363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.911310 (E_RNA)
where:
Base-Base interactions energy: -169.694
where: short stacking energy: -63.567
Base-Backbone interact. energy: -0.134
local terms energy: -55.083001
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -1.883
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -209.398410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.398410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433279 (E_RNA)
where:
Base-Base interactions energy: -149.254
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.373
local terms energy: -59.807168
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -220.854139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.854139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.879724 (E_RNA)
where:
Base-Base interactions energy: -159.652
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.016
local terms energy: -61.211948
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.026 (S_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: 281
Temperature: 1.150000
Total energy: -207.942806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.942806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.024422 (E_RNA)
where:
Base-Base interactions energy: -144.438
where: short stacking energy: -64.498
Base-Backbone interact. energy: -0.042
local terms energy: -63.543808
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.082 (S_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: 281
Temperature: 1.200000
Total energy: -206.714828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.714828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.784002 (E_RNA)
where:
Base-Base interactions energy: -138.099
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.014
local terms energy: -68.670289
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -207.955860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.955860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.003621 (E_RNA)
where:
Base-Base interactions energy: -147.284
where: short stacking energy: -57.268
Base-Backbone interact. energy: -0.000
local terms energy: -60.718991
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.048 (S_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: 281
Temperature: 1.300000
Total energy: -179.720612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.720612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.249087 (E_RNA)
where:
Base-Base interactions energy: -127.031
where: short stacking energy: -56.239
Base-Backbone interact. energy: -0.003
local terms energy: -61.215269
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 8.528 (S_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: 281
Temperature: 1.350000
Total energy: -174.069169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.069169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.508340 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -53.239
Base-Backbone interact. energy: 0.166
local terms energy: -56.074597
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 6.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -224.561397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.561397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.563853 (E_RNA)
where:
Base-Base interactions energy: -170.620
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.888
local terms energy: -53.055974
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.002 (S_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: 282
Temperature: 0.950000
Total energy: -223.579179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.579179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.615255 (E_RNA)
where:
Base-Base interactions energy: -162.166
where: short stacking energy: -61.432
Base-Backbone interact. energy: -0.248
local terms energy: -61.201275
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -234.877283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.877283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.942960 (E_RNA)
where:
Base-Base interactions energy: -173.739
where: short stacking energy: -70.733
Base-Backbone interact. energy: -0.555
local terms energy: -60.648722
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -208.678313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.678313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.703188 (E_RNA)
where:
Base-Base interactions energy: -154.293
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.085
local terms energy: -54.324965
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.025 (S_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: 282
Temperature: 1.100000
Total energy: -215.253263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.253263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.253263 (E_RNA)
where:
Base-Base interactions energy: -158.291
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.199
local terms energy: -56.763758
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -204.199463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.199463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.391050 (E_RNA)
where:
Base-Base interactions energy: -132.706
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.000
local terms energy: -71.685152
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -199.368485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.368485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.446136 (E_RNA)
where:
Base-Base interactions energy: -143.038
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.491
local terms energy: -55.916699
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -201.720810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.720810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835233 (E_RNA)
where:
Base-Base interactions energy: -142.341
where: short stacking energy: -53.104
Base-Backbone interact. energy: -0.334
local terms energy: -59.161003
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.114 (S_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: 282
Temperature: 1.300000
Total energy: -178.581074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.581074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.661871 (E_RNA)
where:
Base-Base interactions energy: -127.609
where: short stacking energy: -51.149
Base-Backbone interact. energy: -1.227
local terms energy: -57.826299
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 8.081 (S_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: 282
Temperature: 1.350000
Total energy: -175.203090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.203090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.755721 (E_RNA)
where:
Base-Base interactions energy: -128.783
where: short stacking energy: -55.640
Base-Backbone interact. energy: -1.781
local terms energy: -52.191755
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -8.461
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 7.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -235.012452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.012452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.038911 (E_RNA)
where:
Base-Base interactions energy: -171.893
where: short stacking energy: -69.919
Base-Backbone interact. energy: -0.138
local terms energy: -63.007075
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.026 (S_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: 283
Temperature: 0.950000
Total energy: -236.702912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.702912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.802737 (E_RNA)
where:
Base-Base interactions energy: -170.107
where: short stacking energy: -66.744
Base-Backbone interact. energy: -0.037
local terms energy: -66.659528
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.100 (S_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: 283
Temperature: 1.000000
Total energy: -228.938423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.938423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.975680 (E_RNA)
where:
Base-Base interactions energy: -169.020
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.463
local terms energy: -59.492584
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.037 (S_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: 283
Temperature: 1.050000
Total energy: -203.752253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.752253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.812317 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.122
local terms energy: -57.242618
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.060 (S_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: 283
Temperature: 1.100000
Total energy: -219.311390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.311390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.487982 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.024
local terms energy: -65.788517
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -197.166425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.166425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.383281 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.078
local terms energy: -58.564711
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -204.994248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.022650 (E_RNA)
where:
Base-Base interactions energy: -150.047
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.009
local terms energy: -54.967176
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -12.019
Dist. restrs. and SS energy: 0.028 (S_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: 283
Temperature: 1.250000
Total energy: -183.772541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.772541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048426 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -52.305
Base-Backbone interact. energy: -0.791
local terms energy: -58.810697
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 9.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -195.030829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.030829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.294793 (E_RNA)
where:
Base-Base interactions energy: -136.962
where: short stacking energy: -56.404
Base-Backbone interact. energy: -0.125
local terms energy: -58.208084
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.264 (S_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: 283
Temperature: 1.350000
Total energy: -179.581308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.581308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.232222 (E_RNA)
where:
Base-Base interactions energy: -130.278
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.038
local terms energy: -55.916227
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 6.651 (S_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: 284
Temperature: 0.900000
Total energy: -232.488165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.488165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.488165 (E_RNA)
where:
Base-Base interactions energy: -170.224
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.488
local terms energy: -61.776362
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -234.422314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.422314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.439518 (E_RNA)
where:
Base-Base interactions energy: -173.912
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.082
local terms energy: -60.445143
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.017 (S_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: 284
Temperature: 1.000000
Total energy: -225.431715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.431715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.470331 (E_RNA)
where:
Base-Base interactions energy: -172.336
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.497
local terms energy: -52.636933
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.039 (S_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: 284
Temperature: 1.050000
Total energy: -212.264250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.494923 (E_RNA)
where:
Base-Base interactions energy: -142.769
where: short stacking energy: -59.896
Base-Backbone interact. energy: -0.076
local terms energy: -69.650569
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.231 (S_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: 284
Temperature: 1.100000
Total energy: -209.634970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.634970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.681603 (E_RNA)
where:
Base-Base interactions energy: -149.487
where: short stacking energy: -65.495
Base-Backbone interact. energy: -0.225
local terms energy: -59.969777
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -209.663122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.663122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.725095 (E_RNA)
where:
Base-Base interactions energy: -152.622
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.005
local terms energy: -57.097446
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.062 (S_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: 284
Temperature: 1.200000
Total energy: -185.014371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.014371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.451431 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -53.289
Base-Backbone interact. energy: -1.219
local terms energy: -65.772145
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 7.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -200.603413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.603413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.753586 (E_RNA)
where:
Base-Base interactions energy: -142.996
where: short stacking energy: -59.401
Base-Backbone interact. energy: -0.651
local terms energy: -57.107193
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -200.885670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.885670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.885670 (E_RNA)
where:
Base-Base interactions energy: -148.793
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.025
local terms energy: -52.067217
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -2.111
tors. eta vs tors. theta energy: -15.797
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -175.211145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.211145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.480342 (E_RNA)
where:
Base-Base interactions energy: -124.491
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.001
local terms energy: -57.988320
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 7.269 (S_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: 285
Temperature: 0.900000
Total energy: -238.932324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.955066 (E_RNA)
where:
Base-Base interactions energy: -175.851
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.009
local terms energy: -63.094369
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -1.422
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.023 (S_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: 285
Temperature: 0.950000
Total energy: -229.859847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.859847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.859847 (E_RNA)
where:
Base-Base interactions energy: -165.865
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.360
local terms energy: -63.634527
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -5.988
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: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -221.168136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.168136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.239847 (E_RNA)
where:
Base-Base interactions energy: -157.635
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.055
local terms energy: -63.550128
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -209.257796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.321779 (E_RNA)
where:
Base-Base interactions energy: -146.794
where: short stacking energy: -62.102
Base-Backbone interact. energy: 1.296
local terms energy: -63.823640
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -214.304095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.304095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.422981 (E_RNA)
where:
Base-Base interactions energy: -158.675
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.417
local terms energy: -55.331223
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.119 (S_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: 285
Temperature: 1.150000
Total energy: -192.095461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.095461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.686706 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.069
local terms energy: -59.088004
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 7.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -196.955790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.955790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.999453 (E_RNA)
where:
Base-Base interactions energy: -140.655
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.040
local terms energy: -56.303778
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -198.024512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.136759 (E_RNA)
where:
Base-Base interactions energy: -136.177
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.368
local terms energy: -61.591326
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -193.159824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.159824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.223962 (E_RNA)
where:
Base-Base interactions energy: -135.783
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.022
local terms energy: -57.419096
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.064 (S_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: 285
Temperature: 1.350000
Total energy: -188.034453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.034453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.597684 (E_RNA)
where:
Base-Base interactions energy: -133.633
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.958
local terms energy: -60.006010
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 6.563 (S_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: 286
Temperature: 0.900000
Total energy: -238.983004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.983004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.983004 (E_RNA)
where:
Base-Base interactions energy: -169.766
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.007
local terms energy: -69.210192
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -233.422959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.422959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.422959 (E_RNA)
where:
Base-Base interactions energy: -169.991
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.002
local terms energy: -63.429848
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -218.276039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.276039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300779 (E_RNA)
where:
Base-Base interactions energy: -159.172
where: short stacking energy: -57.152
Base-Backbone interact. energy: -0.018
local terms energy: -59.110543
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -214.999338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.999338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.044716 (E_RNA)
where:
Base-Base interactions energy: -152.719
where: short stacking energy: -65.473
Base-Backbone interact. energy: 0.240
local terms energy: -62.566304
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.045 (S_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: 286
Temperature: 1.100000
Total energy: -218.726084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.743959 (E_RNA)
where:
Base-Base interactions energy: -160.981
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.017
local terms energy: -57.745749
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.018 (S_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: 286
Temperature: 1.150000
Total energy: -194.450213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.450213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.190921 (E_RNA)
where:
Base-Base interactions energy: -141.778
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.002
local terms energy: -60.410490
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 7.741 (S_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: 286
Temperature: 1.200000
Total energy: -200.428309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.428309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.454924 (E_RNA)
where:
Base-Base interactions energy: -138.238
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.095
local terms energy: -62.121599
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -201.436409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.436409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.453956 (E_RNA)
where:
Base-Base interactions energy: -155.363
where: short stacking energy: -60.342
Base-Backbone interact. energy: -0.113
local terms energy: -45.977612
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -6.107
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.018 (S_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: 286
Temperature: 1.300000
Total energy: -184.825693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.825693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.775820 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -57.683
Base-Backbone interact. energy: -0.001
local terms energy: -61.992591
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 6.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -192.370622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.370622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.571255 (E_RNA)
where:
Base-Base interactions energy: -128.158
where: short stacking energy: -47.605
Base-Backbone interact. energy: -0.090
local terms energy: -64.322639
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.201 (S_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: 287
Temperature: 0.900000
Total energy: -234.519325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.519325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.519325 (E_RNA)
where:
Base-Base interactions energy: -175.766
where: short stacking energy: -69.834
Base-Backbone interact. energy: -0.954
local terms energy: -57.799364
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -221.161389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.161389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263314 (E_RNA)
where:
Base-Base interactions energy: -147.947
where: short stacking energy: -61.442
Base-Backbone interact. energy: -0.118
local terms energy: -73.197682
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -229.337289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.337289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.512716 (E_RNA)
where:
Base-Base interactions energy: -164.516
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.002
local terms energy: -64.994669
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.175 (S_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: 287
Temperature: 1.050000
Total energy: -209.854552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.165550 (E_RNA)
where:
Base-Base interactions energy: -151.424
where: short stacking energy: -58.223
Base-Backbone interact. energy: -0.394
local terms energy: -58.347238
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.311 (S_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: 287
Temperature: 1.100000
Total energy: -203.175404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.220003 (E_RNA)
where:
Base-Base interactions energy: -145.743
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.006
local terms energy: -57.470383
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.045 (S_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: 287
Temperature: 1.150000
Total energy: -201.112040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.226934 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -56.894
Base-Backbone interact. energy: -0.002
local terms energy: -61.872082
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.115 (S_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: 287
Temperature: 1.200000
Total energy: -186.727671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.727671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.889673 (E_RNA)
where:
Base-Base interactions energy: -140.783
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.042
local terms energy: -55.064754
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 9.162 (S_DIST_RNA)
chem. 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: -202.935717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.935717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.039954 (E_RNA)
where:
Base-Base interactions energy: -136.908
where: short stacking energy: -53.927
Base-Backbone interact. energy: -0.265
local terms energy: -65.867646
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.104 (S_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: 287
Temperature: 1.300000
Total energy: -182.556019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.556019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.683672 (E_RNA)
where:
Base-Base interactions energy: -133.853
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.515
local terms energy: -55.315696
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 7.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -196.782299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.782299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.027918 (E_RNA)
where:
Base-Base interactions energy: -135.108
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.155
local terms energy: -61.764984
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.246 (S_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: 288
Temperature: 0.900000
Total energy: -238.281156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.281156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.311584 (E_RNA)
where:
Base-Base interactions energy: -172.799
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.011
local terms energy: -65.502289
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.030 (S_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: 288
Temperature: 0.950000
Total energy: -221.857078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.870455 (E_RNA)
where:
Base-Base interactions energy: -151.567
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.007
local terms energy: -70.297237
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.013 (S_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: 288
Temperature: 1.000000
Total energy: -224.099738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.099738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.168278 (E_RNA)
where:
Base-Base interactions energy: -158.118
where: short stacking energy: -62.560
Base-Backbone interact. energy: -0.682
local terms energy: -65.368853
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -222.160169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.160169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.214206 (E_RNA)
where:
Base-Base interactions energy: -158.496
where: short stacking energy: -58.735
Base-Backbone interact. energy: -0.215
local terms energy: -63.502563
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.054 (S_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: 288
Temperature: 1.100000
Total energy: -215.062513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.062513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092496 (E_RNA)
where:
Base-Base interactions energy: -152.942
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.144
local terms energy: -62.006486
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -204.693474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.693474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.825250 (E_RNA)
where:
Base-Base interactions energy: -139.006
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.002
local terms energy: -65.817387
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. 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: -203.130517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.130517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357253 (E_RNA)
where:
Base-Base interactions energy: -150.974
where: short stacking energy: -61.819
Base-Backbone interact. energy: -0.036
local terms energy: -52.347924
where:
bonds (distance) C4'-P energy: -6.231
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.227 (S_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: 288
Temperature: 1.250000
Total energy: -180.982698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.982698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.967669 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.434
local terms energy: -64.300597
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 6.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -192.960459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.960459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.977173 (E_RNA)
where:
Base-Base interactions energy: -133.566
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.001
local terms energy: -59.410686
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.017 (S_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: 288
Temperature: 1.350000
Total energy: -183.749985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.749985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.050428 (E_RNA)
where:
Base-Base interactions energy: -130.783
where: short stacking energy: -63.606
Base-Backbone interact. energy: -0.822
local terms energy: -59.445641
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 7.300 (S_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: 289
Temperature: 0.900000
Total energy: -237.957958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.957958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.965187 (E_RNA)
where:
Base-Base interactions energy: -166.996
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.337
local terms energy: -70.632687
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.007 (S_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: 289
Temperature: 0.950000
Total energy: -233.636926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.636926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.636926 (E_RNA)
where:
Base-Base interactions energy: -169.015
where: short stacking energy: -70.657
Base-Backbone interact. energy: -0.516
local terms energy: -64.105833
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -220.498818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.498818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.522973 (E_RNA)
where:
Base-Base interactions energy: -157.107
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.015
local terms energy: -63.401147
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.024 (S_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: 289
Temperature: 1.050000
Total energy: -214.032125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.032125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315168 (E_RNA)
where:
Base-Base interactions energy: -159.376
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.004
local terms energy: -54.935415
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -228.492884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.492884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.583390 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.093
local terms energy: -66.091296
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. 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: -209.521920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.521920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.568899 (E_RNA)
where:
Base-Base interactions energy: -151.630
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.160
local terms energy: -57.778304
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -197.824173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.824173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.937811 (E_RNA)
where:
Base-Base interactions energy: -135.266
where: short stacking energy: -49.572
Base-Backbone interact. energy: -0.018
local terms energy: -62.653837
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -196.043370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043370 (E_RNA)
where:
Base-Base interactions energy: -136.566
where: short stacking energy: -56.177
Base-Backbone interact. energy: -0.176
local terms energy: -59.301452
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -13.464
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: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -171.214109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.214109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.366409 (E_RNA)
where:
Base-Base interactions energy: -127.075
where: short stacking energy: -59.025
Base-Backbone interact. energy: -0.121
local terms energy: -52.170491
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 8.152 (S_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: 289
Temperature: 1.350000
Total energy: -179.812181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.812181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.128071 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -53.634
Base-Backbone interact. energy: -0.040
local terms energy: -61.165490
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 9.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -237.197188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.197188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.223608 (E_RNA)
where:
Base-Base interactions energy: -172.314
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.003
local terms energy: -64.906645
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.026 (S_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: 290
Temperature: 0.950000
Total energy: -234.462619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.462619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462619 (E_RNA)
where:
Base-Base interactions energy: -170.496
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.273
local terms energy: -63.693062
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -216.590962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.590962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.595222 (E_RNA)
where:
Base-Base interactions energy: -160.590
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.004
local terms energy: -56.001113
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -224.297431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.297431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.367189 (E_RNA)
where:
Base-Base interactions energy: -164.785
where: short stacking energy: -65.970
Base-Backbone interact. energy: -0.047
local terms energy: -59.535156
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.070 (S_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: 290
Temperature: 1.100000
Total energy: -209.019073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.019073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.043054 (E_RNA)
where:
Base-Base interactions energy: -149.227
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.003
local terms energy: -59.813710
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.024 (S_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: 290
Temperature: 1.150000
Total energy: -216.438393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.483305 (E_RNA)
where:
Base-Base interactions energy: -159.853
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.291
local terms energy: -56.339310
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. 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: -199.272904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.272904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.419109 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.001
local terms energy: -52.274117
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -199.435440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.435440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.760806 (E_RNA)
where:
Base-Base interactions energy: -141.511
where: short stacking energy: -61.209
Base-Backbone interact. energy: -0.005
local terms energy: -58.245178
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.325 (S_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: 290
Temperature: 1.300000
Total energy: -179.777683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.777683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.897749 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.038
local terms energy: -50.444126
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -6.902
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 7.120 (S_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: 290
Temperature: 1.350000
Total energy: -174.747171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.747171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.841801 (E_RNA)
where:
Base-Base interactions energy: -121.812
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.075
local terms energy: -59.955425
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 7.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -234.587363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.587363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.611538 (E_RNA)
where:
Base-Base interactions energy: -170.726
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.002
local terms energy: -63.883551
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -217.243657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.324873 (E_RNA)
where:
Base-Base interactions energy: -154.497
where: short stacking energy: -56.970
Base-Backbone interact. energy: 0.619
local terms energy: -63.446304
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.081 (S_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: 291
Temperature: 1.000000
Total energy: -223.042335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.055421 (E_RNA)
where:
Base-Base interactions energy: -167.500
where: short stacking energy: -65.510
Base-Backbone interact. energy: 0.451
local terms energy: -56.006245
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -1.633
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.013 (S_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: 291
Temperature: 1.050000
Total energy: -212.858325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.858325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.905392 (E_RNA)
where:
Base-Base interactions energy: -150.352
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.002
local terms energy: -62.550871
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -207.630167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.630167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.630167 (E_RNA)
where:
Base-Base interactions energy: -142.834
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.016
local terms energy: -64.779717
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -14.376
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -210.654845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.654845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669120 (E_RNA)
where:
Base-Base interactions energy: -157.204
where: short stacking energy: -61.693
Base-Backbone interact. energy: 0.227
local terms energy: -53.691884
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -202.861492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.871622 (E_RNA)
where:
Base-Base interactions energy: -145.927
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.003
local terms energy: -56.941247
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.010 (S_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: 291
Temperature: 1.250000
Total energy: -196.297394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.297394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.257480 (E_RNA)
where:
Base-Base interactions energy: -145.810
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.052
local terms energy: -58.395539
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 7.960 (S_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: 291
Temperature: 1.300000
Total energy: -195.411262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.411262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.576999 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.013
local terms energy: -55.553553
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -7.724
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.166 (S_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: 291
Temperature: 1.350000
Total energy: -178.563696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.563696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.580907 (E_RNA)
where:
Base-Base interactions energy: -135.525
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.039
local terms energy: -51.016678
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -4.465
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 8.017 (S_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: 292
Temperature: 0.900000
Total energy: -226.205115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.205115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.268922 (E_RNA)
where:
Base-Base interactions energy: -163.598
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.041
local terms energy: -62.630162
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.064 (S_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: 292
Temperature: 0.950000
Total energy: -231.411471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.411471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.610393 (E_RNA)
where:
Base-Base interactions energy: -169.114
where: short stacking energy: -68.155
Base-Backbone interact. energy: -0.018
local terms energy: -62.478936
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.199 (S_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: 292
Temperature: 1.000000
Total energy: -224.307850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.307850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307850 (E_RNA)
where:
Base-Base interactions energy: -161.718
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.240
local terms energy: -62.349711
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -5.031
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: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -217.208357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.208357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212562 (E_RNA)
where:
Base-Base interactions energy: -156.209
where: short stacking energy: -63.736
Base-Backbone interact. energy: 1.475
local terms energy: -62.478174
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -214.817963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.817963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.830872 (E_RNA)
where:
Base-Base interactions energy: -161.763
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.163
local terms energy: -52.904596
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.013 (S_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: 292
Temperature: 1.150000
Total energy: -206.383684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.383684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.424323 (E_RNA)
where:
Base-Base interactions energy: -144.025
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.009
local terms energy: -62.390158
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -183.094510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.094510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.445376 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.000
local terms energy: -57.890491
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 7.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -196.208133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.208133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.209287 (E_RNA)
where:
Base-Base interactions energy: -137.241
where: short stacking energy: -54.764
Base-Backbone interact. energy: -0.007
local terms energy: -58.960743
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.001 (S_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: 292
Temperature: 1.300000
Total energy: -176.116231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.041267 (E_RNA)
where:
Base-Base interactions energy: -121.502
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.490
local terms energy: -62.049351
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 7.925 (S_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: 292
Temperature: 1.350000
Total energy: -187.906324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102422 (E_RNA)
where:
Base-Base interactions energy: -130.233
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.192
local terms energy: -57.677281
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.196 (S_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: 293
Temperature: 0.900000
Total energy: -225.069289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.069289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.069289 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.015
local terms energy: -69.014918
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -228.773784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.773784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.779920 (E_RNA)
where:
Base-Base interactions energy: -169.616
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.265
local terms energy: -58.899058
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.006 (S_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: 293
Temperature: 1.000000
Total energy: -212.797137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.797137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.959996 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -57.876
Base-Backbone interact. energy: -0.118
local terms energy: -62.242083
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -213.529061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.529061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.583023 (E_RNA)
where:
Base-Base interactions energy: -146.877
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.077
local terms energy: -66.629607
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.054 (S_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: 293
Temperature: 1.100000
Total energy: -209.235620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.235620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353006 (E_RNA)
where:
Base-Base interactions energy: -147.790
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.001
local terms energy: -61.562326
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -7.421
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -192.601123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.601123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.333865 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -60.274
Base-Backbone interact. energy: -0.008
local terms energy: -63.706351
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 8.733 (S_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: 293
Temperature: 1.200000
Total energy: -204.367967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.367967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.667236 (E_RNA)
where:
Base-Base interactions energy: -146.081
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.070
local terms energy: -58.516778
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.299 (S_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: 293
Temperature: 1.250000
Total energy: -187.604141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.506172 (E_RNA)
where:
Base-Base interactions energy: -138.686
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.043
local terms energy: -55.776820
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 6.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -194.685235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.685235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.719029 (E_RNA)
where:
Base-Base interactions energy: -136.503
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.212
local terms energy: -58.003590
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.034 (S_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: 293
Temperature: 1.350000
Total energy: -190.806584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.806584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.246721 (E_RNA)
where:
Base-Base interactions energy: -133.538
where: short stacking energy: -52.011
Base-Backbone interact. energy: -0.042
local terms energy: -57.666310
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -227.919580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.919580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.919580 (E_RNA)
where:
Base-Base interactions energy: -166.458
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.680
local terms energy: -60.781292
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -219.573816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.615243 (E_RNA)
where:
Base-Base interactions energy: -155.691
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.030
local terms energy: -63.894339
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -211.603226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.603226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.639750 (E_RNA)
where:
Base-Base interactions energy: -146.455
where: short stacking energy: -60.208
Base-Backbone interact. energy: -0.048
local terms energy: -65.136546
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.037 (S_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: 294
Temperature: 1.050000
Total energy: -212.476226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.476226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.513084 (E_RNA)
where:
Base-Base interactions energy: -155.809
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.118
local terms energy: -56.586106
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.037 (S_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: 294
Temperature: 1.100000
Total energy: -195.777186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.777186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.148564 (E_RNA)
where:
Base-Base interactions energy: -143.057
where: short stacking energy: -61.654
Base-Backbone interact. energy: 0.096
local terms energy: -60.188252
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -7.128
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 7.371 (S_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: 294
Temperature: 1.150000
Total energy: -211.815476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.815476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.815476 (E_RNA)
where:
Base-Base interactions energy: -152.852
where: short stacking energy: -60.866
Base-Backbone interact. energy: 0.992
local terms energy: -59.954931
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -183.409809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.409809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.977249 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.390
local terms energy: -57.964560
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 7.567 (S_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: 294
Temperature: 1.250000
Total energy: -200.522583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.522583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639384 (E_RNA)
where:
Base-Base interactions energy: -137.125
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.639
local terms energy: -62.875373
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -196.925638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.925638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.960957 (E_RNA)
where:
Base-Base interactions energy: -134.248
where: short stacking energy: -52.257
Base-Backbone interact. energy: -0.075
local terms energy: -62.637990
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -195.769849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.769849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.907686 (E_RNA)
where:
Base-Base interactions energy: -137.761
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.001
local terms energy: -58.145892
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -225.355942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.355942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425110 (E_RNA)
where:
Base-Base interactions energy: -164.581
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.002
local terms energy: -60.842421
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -222.843172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.843172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.847548 (E_RNA)
where:
Base-Base interactions energy: -161.899
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.030
local terms energy: -60.918305
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.004 (S_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: 295
Temperature: 1.000000
Total energy: -213.246363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.246363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.309332 (E_RNA)
where:
Base-Base interactions energy: -150.605
where: short stacking energy: -59.241
Base-Backbone interact. energy: -0.117
local terms energy: -62.587865
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.063 (S_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: 295
Temperature: 1.050000
Total energy: -211.318009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.318009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.352589 (E_RNA)
where:
Base-Base interactions energy: -151.006
where: short stacking energy: -61.514
Base-Backbone interact. energy: -0.095
local terms energy: -60.252013
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.035 (S_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: 295
Temperature: 1.100000
Total energy: -199.746172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.746172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.168509 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.004
local terms energy: -69.761664
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 6.422 (S_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: 295
Temperature: 1.150000
Total energy: -208.366317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.366317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481971 (E_RNA)
where:
Base-Base interactions energy: -143.481
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.005
local terms energy: -64.995426
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.116 (S_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: 295
Temperature: 1.200000
Total energy: -182.492308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.492308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.074653 (E_RNA)
where:
Base-Base interactions energy: -127.944
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.001
local terms energy: -61.129903
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 6.582 (S_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: 295
Temperature: 1.250000
Total energy: -201.505155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.505155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.509071 (E_RNA)
where:
Base-Base interactions energy: -138.215
where: short stacking energy: -55.848
Base-Backbone interact. energy: 0.331
local terms energy: -63.624251
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -196.183192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.183192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.209448 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.678
local terms energy: -53.243659
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -203.125751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.344646 (E_RNA)
where:
Base-Base interactions energy: -146.822
where: short stacking energy: -59.255
Base-Backbone interact. energy: 0.335
local terms energy: -56.857130
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -224.473901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.473901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.481425 (E_RNA)
where:
Base-Base interactions energy: -160.925
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.002
local terms energy: -63.554279
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.008 (S_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: 296
Temperature: 0.950000
Total energy: -230.171143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.171143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.171143 (E_RNA)
where:
Base-Base interactions energy: -170.853
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.057
local terms energy: -59.261057
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -213.360178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.360178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413568 (E_RNA)
where:
Base-Base interactions energy: -151.829
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.002
local terms energy: -61.583119
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.053 (S_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: 296
Temperature: 1.050000
Total energy: -207.305830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.305830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.466563 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.023
local terms energy: -57.547974
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.161 (S_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: 296
Temperature: 1.100000
Total energy: -208.137940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.137940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.217332 (E_RNA)
where:
Base-Base interactions energy: -147.701
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.140
local terms energy: -60.376529
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -195.408461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.408461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769650 (E_RNA)
where:
Base-Base interactions energy: -144.441
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.011
local terms energy: -58.318191
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 7.361 (S_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: 296
Temperature: 1.200000
Total energy: -204.019092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.019092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.079025 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -57.319
Base-Backbone interact. energy: -0.005
local terms energy: -63.362244
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.060 (S_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: 296
Temperature: 1.250000
Total energy: -172.461140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.461140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.995060 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -54.484
Base-Backbone interact. energy: -0.382
local terms energy: -56.137396
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 6.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -196.385827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.385827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.672392 (E_RNA)
where:
Base-Base interactions energy: -137.456
where: short stacking energy: -56.285
Base-Backbone interact. energy: 0.338
local terms energy: -59.554666
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -195.160663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.160663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.220495 (E_RNA)
where:
Base-Base interactions energy: -133.086
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.011
local terms energy: -62.124018
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -214.100039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.100039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.125435 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.019
local terms energy: -65.348636
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -237.308185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.308185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.391579 (E_RNA)
where:
Base-Base interactions energy: -177.022
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.048
local terms energy: -60.321741
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.083 (S_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: 297
Temperature: 1.000000
Total energy: -210.760971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.815864 (E_RNA)
where:
Base-Base interactions energy: -146.966
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.044
local terms energy: -63.806236
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.055 (S_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: 297
Temperature: 1.050000
Total energy: -213.697351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.697351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.697351 (E_RNA)
where:
Base-Base interactions energy: -148.705
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.069
local terms energy: -64.923119
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -15.070
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: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -209.382205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.382205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.398821 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -59.198
Base-Backbone interact. energy: -0.279
local terms energy: -54.173010
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.017 (S_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: 297
Temperature: 1.150000
Total energy: -207.073529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.073529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.104073 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -59.324
Base-Backbone interact. energy: -0.576
local terms energy: -63.097984
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -180.909522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.909522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.192994 (E_RNA)
where:
Base-Base interactions energy: -125.998
where: short stacking energy: -53.135
Base-Backbone interact. energy: -0.026
local terms energy: -62.168303
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 7.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -200.758681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.758681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.986653 (E_RNA)
where:
Base-Base interactions energy: -143.374
where: short stacking energy: -57.665
Base-Backbone interact. energy: -0.000
local terms energy: -57.611768
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.228 (S_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: 297
Temperature: 1.300000
Total energy: -181.947887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.947887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.699189 (E_RNA)
where:
Base-Base interactions energy: -135.416
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.096
local terms energy: -53.187343
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -4.900
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 6.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -190.633963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.633963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.015024 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.110
local terms energy: -59.435937
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -236.896901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.896901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.927552 (E_RNA)
where:
Base-Base interactions energy: -169.804
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.068
local terms energy: -67.055441
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -228.897915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.000830 (E_RNA)
where:
Base-Base interactions energy: -157.701
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.000
local terms energy: -71.299254
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.103 (S_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: 298
Temperature: 1.000000
Total energy: -219.324354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.324354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.400616 (E_RNA)
where:
Base-Base interactions energy: -161.661
where: short stacking energy: -58.824
Base-Backbone interact. energy: -0.054
local terms energy: -57.684847
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.076 (S_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: 298
Temperature: 1.050000
Total energy: -207.387315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.387315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.393837 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.054
local terms energy: -62.515351
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -14.291
Dist. restrs. and SS energy: 0.007 (S_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: 298
Temperature: 1.100000
Total energy: -212.334813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.334813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.368258 (E_RNA)
where:
Base-Base interactions energy: -151.255
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.012
local terms energy: -61.100909
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.033 (S_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: 298
Temperature: 1.150000
Total energy: -200.983299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.983299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.983299 (E_RNA)
where:
Base-Base interactions energy: -145.308
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.023
local terms energy: -55.651947
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -11.693
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: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -201.508629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.508629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.564527 (E_RNA)
where:
Base-Base interactions energy: -141.274
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.015
local terms energy: -60.275158
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -174.131278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.131278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.693396 (E_RNA)
where:
Base-Base interactions energy: -127.896
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.127
local terms energy: -52.671093
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 6.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -195.362226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.362226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.362226 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -57.388
Base-Backbone interact. energy: -0.106
local terms energy: -51.678712
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -173.468808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.468808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.812945 (E_RNA)
where:
Base-Base interactions energy: -130.696
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.017
local terms energy: -53.099555
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 10.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -238.168155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.168155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.183109 (E_RNA)
where:
Base-Base interactions energy: -171.749
where: short stacking energy: -70.288
Base-Backbone interact. energy: -0.041
local terms energy: -66.393432
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.015 (S_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: 299
Temperature: 0.950000
Total energy: -216.412921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.412921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.459435 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -66.058
Base-Backbone interact. energy: -0.290
local terms energy: -62.703196
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -212.427041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.427041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.427041 (E_RNA)
where:
Base-Base interactions energy: -149.764
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.104
local terms energy: -62.558165
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.148
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: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -217.247881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.247881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.391370 (E_RNA)
where:
Base-Base interactions energy: -152.640
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.041
local terms energy: -64.709551
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.143 (S_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: 299
Temperature: 1.100000
Total energy: -209.074385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.074385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.251179 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -57.624
Base-Backbone interact. energy: 0.339
local terms energy: -67.175255
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.177 (S_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: 299
Temperature: 1.150000
Total energy: -204.659330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.659330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.748069 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -59.329
Base-Backbone interact. energy: 0.404
local terms energy: -61.178847
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -203.024080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.024080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.112189 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.248
local terms energy: -53.977011
where:
bonds (distance) C4'-P energy: -6.477
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -193.706178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.706178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.904448 (E_RNA)
where:
Base-Base interactions energy: -127.873
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.003
local terms energy: -66.027856
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -180.482553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.715072 (E_RNA)
where:
Base-Base interactions energy: -127.774
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.162
local terms energy: -59.779147
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 7.233 (S_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: 299
Temperature: 1.350000
Total energy: -179.556127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.556127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.695553 (E_RNA)
where:
Base-Base interactions energy: -121.505
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.006
local terms energy: -65.184905
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 7.139 (S_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: 300
Temperature: 0.900000
Total energy: -222.268028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.268028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.322079 (E_RNA)
where:
Base-Base interactions energy: -152.325
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.293
local terms energy: -69.703872
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -239.356725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.356725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.388226 (E_RNA)
where:
Base-Base interactions energy: -173.360
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.008
local terms energy: -66.020439
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -219.370868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.370868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406060 (E_RNA)
where:
Base-Base interactions energy: -155.139
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.666
local terms energy: -63.601222
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -211.081364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.081364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181042 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.043
local terms energy: -65.062836
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -212.589873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.589873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.595154 (E_RNA)
where:
Base-Base interactions energy: -149.821
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.123
local terms energy: -62.651892
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -208.832391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.910895 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.100
local terms energy: -66.125051
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -199.085018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.085018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.090893 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.031
local terms energy: -63.216217
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -202.294607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.294607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.359303 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.055
local terms energy: -51.233723
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -181.545120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.578525 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -58.977
Base-Backbone interact. energy: -1.699
local terms energy: -54.492842
where:
bonds (distance) C4'-P energy: -6.505
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 7.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -184.437277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.437277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.024024 (E_RNA)
where:
Base-Base interactions energy: -131.882
where: short stacking energy: -56.416
Base-Backbone interact. energy: -0.726
local terms energy: -59.416730
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 7.587 (S_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: 301
Temperature: 0.900000
Total energy: -224.645212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.666738 (E_RNA)
where:
Base-Base interactions energy: -161.896
where: short stacking energy: -60.848
Base-Backbone interact. energy: 0.002
local terms energy: -62.773114
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -236.068979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.068979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.257938 (E_RNA)
where:
Base-Base interactions energy: -171.702
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.371
local terms energy: -64.184777
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.189 (S_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: 301
Temperature: 1.000000
Total energy: -209.766207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.766207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.767631 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -57.259
Base-Backbone interact. energy: -0.265
local terms energy: -62.112893
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -210.208009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.208009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.218094 (E_RNA)
where:
Base-Base interactions energy: -153.894
where: short stacking energy: -64.064
Base-Backbone interact. energy: 0.241
local terms energy: -56.564556
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -7.005
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -207.087685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.087685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.106732 (E_RNA)
where:
Base-Base interactions energy: -144.121
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.100
local terms energy: -62.886117
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -211.858298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.858298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.858298 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -56.621
Base-Backbone interact. energy: -0.001
local terms energy: -62.124632
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -204.852905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.852905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189594 (E_RNA)
where:
Base-Base interactions energy: -141.669
where: short stacking energy: -59.325
Base-Backbone interact. energy: -0.455
local terms energy: -63.066249
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -195.158335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.158335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.219082 (E_RNA)
where:
Base-Base interactions energy: -136.892
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.006
local terms energy: -58.320551
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.061 (S_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: 301
Temperature: 1.300000
Total energy: -174.388958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.388958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.415690 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -49.731
Base-Backbone interact. energy: -0.135
local terms energy: -57.505673
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 7.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -170.255336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.255336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.573444 (E_RNA)
where:
Base-Base interactions energy: -118.464
where: short stacking energy: -51.073
Base-Backbone interact. energy: -0.008
local terms energy: -61.100999
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 9.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -227.227992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.227992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.327538 (E_RNA)
where:
Base-Base interactions energy: -159.419
where: short stacking energy: -62.812
Base-Backbone interact. energy: -1.186
local terms energy: -66.721947
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -223.824594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.824594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.905172 (E_RNA)
where:
Base-Base interactions energy: -169.159
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.011
local terms energy: -54.734856
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -2.217
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -209.758607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.758607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.802216 (E_RNA)
where:
Base-Base interactions energy: -152.246
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.048
local terms energy: -57.508005
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.044 (S_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: 302
Temperature: 1.050000
Total energy: -204.810082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.810082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.875033 (E_RNA)
where:
Base-Base interactions energy: -139.643
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.293
local terms energy: -64.939082
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.065 (S_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: 302
Temperature: 1.100000
Total energy: -213.146546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.146546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.177016 (E_RNA)
where:
Base-Base interactions energy: -151.796
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.011
local terms energy: -61.370452
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.030 (S_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: -205.901423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.901423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.053773 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.010
local terms energy: -65.015614
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -199.362416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.362416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.362416 (E_RNA)
where:
Base-Base interactions energy: -139.218
where: short stacking energy: -53.573
Base-Backbone interact. energy: -0.037
local terms energy: -60.108041
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -199.029672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.029672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.071379 (E_RNA)
where:
Base-Base interactions energy: -137.298
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.006
local terms energy: -61.767814
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -8.821
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -170.792892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.792892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.981109 (E_RNA)
where:
Base-Base interactions energy: -135.833
where: short stacking energy: -57.595
Base-Backbone interact. energy: 0.694
local terms energy: -43.842669
where:
bonds (distance) C4'-P energy: -5.031
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -7.858
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 8.188 (S_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: 302
Temperature: 1.350000
Total energy: -174.754392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.754392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.730104 (E_RNA)
where:
Base-Base interactions energy: -127.752
where: short stacking energy: -52.356
Base-Backbone interact. energy: -1.162
local terms energy: -53.815799
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 7.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -229.518100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.518100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.604841 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.290
local terms energy: -66.805601
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.087 (S_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: 303
Temperature: 0.950000
Total energy: -222.641399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.641399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.682809 (E_RNA)
where:
Base-Base interactions energy: -165.498
where: short stacking energy: -68.418
Base-Backbone interact. energy: -0.009
local terms energy: -57.175808
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. 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: -213.677295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.677295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.738517 (E_RNA)
where:
Base-Base interactions energy: -147.182
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.098
local terms energy: -66.459242
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.061 (S_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: 303
Temperature: 1.050000
Total energy: -208.375552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.375552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397456 (E_RNA)
where:
Base-Base interactions energy: -148.779
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.042
local terms energy: -59.575703
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.022 (S_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: 303
Temperature: 1.100000
Total energy: -204.944100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.944100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.227347 (E_RNA)
where:
Base-Base interactions energy: -145.470
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.606
local terms energy: -59.150869
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -204.956673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.147221 (E_RNA)
where:
Base-Base interactions energy: -145.104
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.005
local terms energy: -60.038493
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.191 (S_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: -203.340551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.340551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.342077 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.001
local terms energy: -61.023732
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -202.057843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.076379 (E_RNA)
where:
Base-Base interactions energy: -142.170
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.279
local terms energy: -59.626493
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -186.141981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.141981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.089445 (E_RNA)
where:
Base-Base interactions energy: -134.519
where: short stacking energy: -59.123
Base-Backbone interact. energy: 0.777
local terms energy: -59.347584
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 6.947 (S_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: 303
Temperature: 1.350000
Total energy: -171.067990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.067990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.467054 (E_RNA)
where:
Base-Base interactions energy: -123.346
where: short stacking energy: -54.941
Base-Backbone interact. energy: 0.027
local terms energy: -57.148418
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 9.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -219.505719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.616907 (E_RNA)
where:
Base-Base interactions energy: -148.079
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.001
local terms energy: -71.536652
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -214.521235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.521235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.602389 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -65.436
Base-Backbone interact. energy: -0.099
local terms energy: -60.828042
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -219.529231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.529231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.529231 (E_RNA)
where:
Base-Base interactions energy: -145.868
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.067
local terms energy: -73.593914
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.433
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: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -225.662194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.662194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.662194 (E_RNA)
where:
Base-Base interactions energy: -164.375
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.100
local terms energy: -61.186573
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -13.784
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: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -210.152393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.364269 (E_RNA)
where:
Base-Base interactions energy: -156.301
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.002
local terms energy: -54.060920
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.212 (S_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: 304
Temperature: 1.150000
Total energy: -198.687544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.743438 (E_RNA)
where:
Base-Base interactions energy: -140.097
where: short stacking energy: -55.949
Base-Backbone interact. energy: -0.117
local terms energy: -58.529471
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -205.099385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.099385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229986 (E_RNA)
where:
Base-Base interactions energy: -153.246
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.431
local terms energy: -51.553100
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.131 (S_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: 304
Temperature: 1.250000
Total energy: -201.429203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.462392 (E_RNA)
where:
Base-Base interactions energy: -136.752
where: short stacking energy: -57.347
Base-Backbone interact. energy: -0.047
local terms energy: -64.662930
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.033 (S_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: 304
Temperature: 1.300000
Total energy: -182.695309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.695309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.879541 (E_RNA)
where:
Base-Base interactions energy: -133.234
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.001
local terms energy: -60.644631
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -8.656
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 11.184 (S_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: 304
Temperature: 1.350000
Total energy: -172.632046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.632046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.498087 (E_RNA)
where:
Base-Base interactions energy: -119.445
where: short stacking energy: -45.582
Base-Backbone interact. energy: -1.191
local terms energy: -58.861791
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 6.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -220.810068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.810068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.810170 (E_RNA)
where:
Base-Base interactions energy: -150.670
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.011
local terms energy: -70.129154
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -219.277852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.277852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277852 (E_RNA)
where:
Base-Base interactions energy: -148.961
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.045
local terms energy: -70.272320
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.508
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: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -224.180278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.180278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.185093 (E_RNA)
where:
Base-Base interactions energy: -164.835
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.001
local terms energy: -59.348541
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -209.088783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.187449 (E_RNA)
where:
Base-Base interactions energy: -148.256
where: short stacking energy: -60.292
Base-Backbone interact. energy: -0.131
local terms energy: -60.800123
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -229.611890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.611890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.611890 (E_RNA)
where:
Base-Base interactions energy: -169.645
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.278
local terms energy: -59.689048
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -207.197281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.197281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.216877 (E_RNA)
where:
Base-Base interactions energy: -142.517
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.075
local terms energy: -64.624240
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.020 (S_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: 305
Temperature: 1.200000
Total energy: -203.878649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.878649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.143393 (E_RNA)
where:
Base-Base interactions energy: -145.066
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.001
local terms energy: -59.076528
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.265 (S_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: 305
Temperature: 1.250000
Total energy: -183.581785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.581785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.721631 (E_RNA)
where:
Base-Base interactions energy: -137.003
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.012
local terms energy: -55.706607
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 9.140 (S_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: 305
Temperature: 1.300000
Total energy: -192.731665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.731665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.735850 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -51.643
Base-Backbone interact. energy: -0.002
local terms energy: -58.978479
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.004 (S_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: 305
Temperature: 1.350000
Total energy: -174.261259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.261259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489960 (E_RNA)
where:
Base-Base interactions energy: -128.479
where: short stacking energy: -51.944
Base-Backbone interact. energy: 0.945
local terms energy: -55.956440
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 9.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -223.310314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.310314 (E_RNA)
where:
Base-Base interactions energy: -154.546
where: short stacking energy: -67.497
Base-Backbone interact. energy: 0.191
local terms energy: -68.955558
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -224.639481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.639481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.686352 (E_RNA)
where:
Base-Base interactions energy: -157.254
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.001
local terms energy: -67.430889
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -212.235764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.235764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.240124 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.142
local terms energy: -64.948485
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -220.702308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.702308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.721285 (E_RNA)
where:
Base-Base interactions energy: -161.474
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.581
local terms energy: -58.666634
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -224.916130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.916130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.019879 (E_RNA)
where:
Base-Base interactions energy: -158.381
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.281
local terms energy: -66.357768
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -200.357418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.357418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389226 (E_RNA)
where:
Base-Base interactions energy: -134.531
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.161
local terms energy: -65.697889
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.032 (S_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: 306
Temperature: 1.200000
Total energy: -209.934130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.934130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065368 (E_RNA)
where:
Base-Base interactions energy: -156.758
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.168
local terms energy: -53.139805
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.131 (S_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: 306
Temperature: 1.250000
Total energy: -185.367919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.367919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.602412 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -57.434
Base-Backbone interact. energy: -1.070
local terms energy: -55.390424
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 8.234 (S_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: 306
Temperature: 1.300000
Total energy: -191.827290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.827290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.917280 (E_RNA)
where:
Base-Base interactions energy: -130.090
where: short stacking energy: -47.340
Base-Backbone interact. energy: -0.034
local terms energy: -61.793714
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.090 (S_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: 306
Temperature: 1.350000
Total energy: -170.278411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.278411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.013847 (E_RNA)
where:
Base-Base interactions energy: -121.389
where: short stacking energy: -53.073
Base-Backbone interact. energy: -0.023
local terms energy: -55.601864
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 6.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -226.732919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.732919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.919095 (E_RNA)
where:
Base-Base interactions energy: -161.588
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.252
local terms energy: -65.078860
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -222.226982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.226982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.233915 (E_RNA)
where:
Base-Base interactions energy: -156.586
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.156
local terms energy: -65.491892
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -232.522848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.522848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523512 (E_RNA)
where:
Base-Base interactions energy: -166.868
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.101
local terms energy: -65.554567
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -225.770316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.770316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.804774 (E_RNA)
where:
Base-Base interactions energy: -166.524
where: short stacking energy: -60.400
Base-Backbone interact. energy: 0.698
local terms energy: -59.978979
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.034 (S_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: 307
Temperature: 1.100000
Total energy: -215.862429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.862429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044583 (E_RNA)
where:
Base-Base interactions energy: -150.904
where: short stacking energy: -64.022
Base-Backbone interact. energy: -0.412
local terms energy: -64.727634
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.182 (S_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: 307
Temperature: 1.150000
Total energy: -204.429751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.429751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.557085 (E_RNA)
where:
Base-Base interactions energy: -150.673
where: short stacking energy: -58.715
Base-Backbone interact. energy: -0.067
local terms energy: -53.817218
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -199.314776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.314776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.475592 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.128
local terms energy: -53.642272
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.161 (S_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: 307
Temperature: 1.250000
Total energy: -197.445993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.445993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.631955 (E_RNA)
where:
Base-Base interactions energy: -141.150
where: short stacking energy: -59.734
Base-Backbone interact. energy: -0.575
local terms energy: -55.906476
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.186 (S_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: 307
Temperature: 1.300000
Total energy: -183.943609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.943609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.233143 (E_RNA)
where:
Base-Base interactions energy: -129.072
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.235
local terms energy: -62.925758
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 8.290 (S_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: 307
Temperature: 1.350000
Total energy: -174.858131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.858131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.963495 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.018
local terms energy: -56.143311
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 8.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -218.271984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.271984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.326900 (E_RNA)
where:
Base-Base interactions energy: -145.806
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.641
local terms energy: -71.880119
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.055 (S_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: 308
Temperature: 0.950000
Total energy: -215.905513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.905513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.953037 (E_RNA)
where:
Base-Base interactions energy: -146.366
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.000
local terms energy: -69.586464
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -234.680547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.680547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.787517 (E_RNA)
where:
Base-Base interactions energy: -169.505
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.290
local terms energy: -64.992096
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -204.553561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.553561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560289 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -55.990
Base-Backbone interact. energy: -0.140
local terms energy: -64.176729
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.007 (S_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: 308
Temperature: 1.100000
Total energy: -225.727179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.727179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.733778 (E_RNA)
where:
Base-Base interactions energy: -161.666
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.022
local terms energy: -64.045353
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.007 (S_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: 308
Temperature: 1.150000
Total energy: -203.713513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.713513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.737340 (E_RNA)
where:
Base-Base interactions energy: -142.609
where: short stacking energy: -51.246
Base-Backbone interact. energy: -0.163
local terms energy: -60.965536
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.024 (S_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: 308
Temperature: 1.200000
Total energy: -199.383471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.383471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.521094 (E_RNA)
where:
Base-Base interactions energy: -139.578
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.007
local terms energy: -59.935547
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -206.552343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.552343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.559774 (E_RNA)
where:
Base-Base interactions energy: -142.218
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.050
local terms energy: -64.291426
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.007 (S_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: 308
Temperature: 1.300000
Total energy: -174.195658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.195658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.466040 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -48.801
Base-Backbone interact. energy: -0.050
local terms energy: -57.364358
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 8.270 (S_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: 308
Temperature: 1.350000
Total energy: -170.239069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.239069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.385540 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -50.199
Base-Backbone interact. energy: -1.335
local terms energy: -56.196306
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 10.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -233.902543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.902543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.923370 (E_RNA)
where:
Base-Base interactions energy: -166.495
where: short stacking energy: -70.665
Base-Backbone interact. energy: -0.065
local terms energy: -67.363235
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -236.581824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.581824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.635645 (E_RNA)
where:
Base-Base interactions energy: -170.704
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.218
local terms energy: -65.713439
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.054 (S_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: 309
Temperature: 1.000000
Total energy: -220.925234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.925234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.926618 (E_RNA)
where:
Base-Base interactions energy: -161.025
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.001
local terms energy: -59.900751
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.001 (S_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: 309
Temperature: 1.050000
Total energy: -224.022448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.022448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.036571 (E_RNA)
where:
Base-Base interactions energy: -161.742
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.012
local terms energy: -62.282443
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -213.323544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.323544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.327848 (E_RNA)
where:
Base-Base interactions energy: -150.690
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.436
local terms energy: -62.201271
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.004 (S_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: 309
Temperature: 1.150000
Total energy: -206.615909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.615909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.717810 (E_RNA)
where:
Base-Base interactions energy: -149.300
where: short stacking energy: -65.658
Base-Backbone interact. energy: -0.004
local terms energy: -57.413989
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -6.143
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -203.346598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.346598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569108 (E_RNA)
where:
Base-Base interactions energy: -146.748
where: short stacking energy: -63.614
Base-Backbone interact. energy: -0.108
local terms energy: -56.713592
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.223 (S_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: 309
Temperature: 1.250000
Total energy: -183.078659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.078659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588798 (E_RNA)
where:
Base-Base interactions energy: -126.901
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.753
local terms energy: -62.935081
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 7.510 (S_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: 309
Temperature: 1.300000
Total energy: -196.295836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.295836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.491302 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -57.113
Base-Backbone interact. energy: 0.040
local terms energy: -55.408806
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.195 (S_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: 309
Temperature: 1.350000
Total energy: -165.519964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.519964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.317263 (E_RNA)
where:
Base-Base interactions energy: -116.083
where: short stacking energy: -48.651
Base-Backbone interact. energy: -0.926
local terms energy: -55.308001
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 6.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -234.433506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.433506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.438701 (E_RNA)
where:
Base-Base interactions energy: -173.184
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.005
local terms energy: -61.249119
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -234.985874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.985874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.002040 (E_RNA)
where:
Base-Base interactions energy: -165.804
where: short stacking energy: -65.345
Base-Backbone interact. energy: -0.014
local terms energy: -69.184351
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.016 (S_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: 310
Temperature: 1.000000
Total energy: -230.468634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.468634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.534100 (E_RNA)
where:
Base-Base interactions energy: -170.608
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.238
local terms energy: -59.687872
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.065 (S_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: 310
Temperature: 1.050000
Total energy: -208.010807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.010807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.074388 (E_RNA)
where:
Base-Base interactions energy: -139.164
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.401
local terms energy: -68.508725
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -206.965434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.965434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.088987 (E_RNA)
where:
Base-Base interactions energy: -142.119
where: short stacking energy: -57.147
Base-Backbone interact. energy: -0.055
local terms energy: -64.915203
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.124 (S_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: 310
Temperature: 1.150000
Total energy: -203.284350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.327842 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -59.134
Base-Backbone interact. energy: -0.002
local terms energy: -56.779232
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -212.741323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.741323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.860796 (E_RNA)
where:
Base-Base interactions energy: -150.014
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.056
local terms energy: -62.790561
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.119 (S_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: 310
Temperature: 1.250000
Total energy: -180.715051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.715051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867697 (E_RNA)
where:
Base-Base interactions energy: -127.549
where: short stacking energy: -55.845
Base-Backbone interact. energy: -0.863
local terms energy: -60.456293
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 8.153 (S_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: 310
Temperature: 1.300000
Total energy: -182.903248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.903248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.516834 (E_RNA)
where:
Base-Base interactions energy: -136.219
where: short stacking energy: -57.145
Base-Backbone interact. energy: 0.279
local terms energy: -53.576634
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 6.614 (S_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: 310
Temperature: 1.350000
Total energy: -199.025354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.025354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.031592 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.015
local terms energy: -59.341549
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -231.317194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.317194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.326578 (E_RNA)
where:
Base-Base interactions energy: -173.222
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.030
local terms energy: -58.074905
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -220.038134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.038134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.048723 (E_RNA)
where:
Base-Base interactions energy: -157.089
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.013
local terms energy: -62.947065
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -231.207030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.207030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.359080 (E_RNA)
where:
Base-Base interactions energy: -167.852
where: short stacking energy: -70.197
Base-Backbone interact. energy: -0.036
local terms energy: -63.470545
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -219.989701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989701 (E_RNA)
where:
Base-Base interactions energy: -157.703
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.000
local terms energy: -62.285992
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -211.446998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.446998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.491054 (E_RNA)
where:
Base-Base interactions energy: -151.185
where: short stacking energy: -56.577
Base-Backbone interact. energy: -0.041
local terms energy: -60.265222
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -213.451785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.451785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.518618 (E_RNA)
where:
Base-Base interactions energy: -150.501
where: short stacking energy: -56.961
Base-Backbone interact. energy: -0.001
local terms energy: -63.016875
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -200.528790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.528790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.654566 (E_RNA)
where:
Base-Base interactions energy: -148.096
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.015
local terms energy: -52.544160
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.126 (S_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: 311
Temperature: 1.250000
Total energy: -186.097644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.097644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.917207 (E_RNA)
where:
Base-Base interactions energy: -132.729
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.179
local terms energy: -61.009452
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 7.820 (S_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: 311
Temperature: 1.300000
Total energy: -181.002532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.842293 (E_RNA)
where:
Base-Base interactions energy: -124.597
where: short stacking energy: -45.652
Base-Backbone interact. energy: -1.501
local terms energy: -61.744441
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 6.840 (S_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: 311
Temperature: 1.350000
Total energy: -191.167699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.167699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.357461 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.148
local terms energy: -57.210758
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.190 (S_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: 312
Temperature: 0.900000
Total energy: -225.893141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.896935 (E_RNA)
where:
Base-Base interactions energy: -157.865
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.035
local terms energy: -67.997180
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -217.370137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.370137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.407651 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.001
local terms energy: -72.216915
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.038 (S_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: 312
Temperature: 1.000000
Total energy: -226.216429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.216429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.216429 (E_RNA)
where:
Base-Base interactions energy: -164.528
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.226
local terms energy: -61.462859
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -220.323974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.323974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.475326 (E_RNA)
where:
Base-Base interactions energy: -168.923
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.016
local terms energy: -51.536384
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.151 (S_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: 312
Temperature: 1.100000
Total energy: -204.097523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.097523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.186323 (E_RNA)
where:
Base-Base interactions energy: -143.561
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.103
local terms energy: -60.521653
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.089 (S_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: 312
Temperature: 1.150000
Total energy: -203.516170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.516170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.570418 (E_RNA)
where:
Base-Base interactions energy: -141.809
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.070
local terms energy: -61.691669
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.054 (S_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: 312
Temperature: 1.200000
Total energy: -181.135585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.135585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.856523 (E_RNA)
where:
Base-Base interactions energy: -134.573
where: short stacking energy: -54.144
Base-Backbone interact. energy: -1.577
local terms energy: -52.706462
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 7.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -199.744950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.744950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.747831 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.066
local terms energy: -59.295034
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -192.063986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.063986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.171047 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -50.944
Base-Backbone interact. energy: -0.217
local terms energy: -56.788491
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.107 (S_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: 312
Temperature: 1.350000
Total energy: -170.926609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.926609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.957054 (E_RNA)
where:
Base-Base interactions energy: -128.369
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.004
local terms energy: -48.584577
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -7.141
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 6.030 (S_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: 313
Temperature: 0.900000
Total energy: -224.807179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.846882 (E_RNA)
where:
Base-Base interactions energy: -156.172
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.006
local terms energy: -68.668910
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -215.877284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.877284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.877862 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.050
local terms energy: -66.560530
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.001 (S_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: 313
Temperature: 1.000000
Total energy: -220.844853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.844853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.864654 (E_RNA)
where:
Base-Base interactions energy: -162.003
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.132
local terms energy: -58.729389
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.020 (S_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: 313
Temperature: 1.050000
Total energy: -210.609275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.609275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.675802 (E_RNA)
where:
Base-Base interactions energy: -143.926
where: short stacking energy: -55.737
Base-Backbone interact. energy: -0.041
local terms energy: -66.708857
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.067 (S_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: 313
Temperature: 1.100000
Total energy: -202.146634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.146634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.206859 (E_RNA)
where:
Base-Base interactions energy: -141.494
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.007
local terms energy: -60.706270
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.060 (S_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: 313
Temperature: 1.150000
Total energy: -195.773332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.164166 (E_RNA)
where:
Base-Base interactions energy: -138.043
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.048
local terms energy: -65.072398
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 7.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -205.727752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.727752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.767751 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -54.360
Base-Backbone interact. energy: -0.017
local terms energy: -66.622918
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -195.077946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.077946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.135094 (E_RNA)
where:
Base-Base interactions energy: -135.698
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.053
local terms energy: -59.383472
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -204.579331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.579331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.750317 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.008
local terms energy: -53.908839
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.171 (S_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: 313
Temperature: 1.350000
Total energy: -174.834079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.834079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.230723 (E_RNA)
where:
Base-Base interactions energy: -124.011
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.008
local terms energy: -58.211634
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 7.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -221.298853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.298853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.690339 (E_RNA)
where:
Base-Base interactions energy: -150.791
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.000
local terms energy: -70.899195
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -219.239283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.239283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.308369 (E_RNA)
where:
Base-Base interactions energy: -155.792
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.001
local terms energy: -63.515273
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -214.720333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.720333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821564 (E_RNA)
where:
Base-Base interactions energy: -148.326
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.001
local terms energy: -66.494559
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -228.567045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.567045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.589653 (E_RNA)
where:
Base-Base interactions energy: -165.864
where: short stacking energy: -70.165
Base-Backbone interact. energy: -0.003
local terms energy: -62.722539
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.508
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.023 (S_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: 314
Temperature: 1.100000
Total energy: -199.943286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.943286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.468938 (E_RNA)
where:
Base-Base interactions energy: -143.204
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.887
local terms energy: -63.378559
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 7.526 (S_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: 314
Temperature: 1.150000
Total energy: -212.357073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.357073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.478025 (E_RNA)
where:
Base-Base interactions energy: -157.830
where: short stacking energy: -59.803
Base-Backbone interact. energy: -0.004
local terms energy: -54.643891
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -213.180346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.180346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.356988 (E_RNA)
where:
Base-Base interactions energy: -162.442
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.375
local terms energy: -50.540107
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -6.468
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -196.675485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.777257 (E_RNA)
where:
Base-Base interactions energy: -135.476
where: short stacking energy: -56.423
Base-Backbone interact. energy: -0.001
local terms energy: -61.300789
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.102 (S_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: 314
Temperature: 1.300000
Total energy: -185.061513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.061513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.115615 (E_RNA)
where:
Base-Base interactions energy: -141.612
where: short stacking energy: -56.963
Base-Backbone interact. energy: -0.018
local terms energy: -51.485569
where:
bonds (distance) C4'-P energy: -6.775
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 8.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -196.115345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.115345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.174301 (E_RNA)
where:
Base-Base interactions energy: -138.260
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.042
local terms energy: -57.872280
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -218.555577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.555577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673704 (E_RNA)
where:
Base-Base interactions energy: -151.091
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.524
local terms energy: -67.058415
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -232.691103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.691103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.726910 (E_RNA)
where:
Base-Base interactions energy: -166.389
where: short stacking energy: -65.761
Base-Backbone interact. energy: -0.004
local terms energy: -66.334091
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -211.545048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.545048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573392 (E_RNA)
where:
Base-Base interactions energy: -147.437
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.094
local terms energy: -64.042531
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.028 (S_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: 315
Temperature: 1.050000
Total energy: -193.066897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.066897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.020622 (E_RNA)
where:
Base-Base interactions energy: -134.721
where: short stacking energy: -63.394
Base-Backbone interact. energy: -0.657
local terms energy: -65.643096
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 7.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -205.508498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.508498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.582047 (E_RNA)
where:
Base-Base interactions energy: -151.516
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.007
local terms energy: -54.058971
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -204.906182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.043400 (E_RNA)
where:
Base-Base interactions energy: -144.466
where: short stacking energy: -61.239
Base-Backbone interact. energy: -0.153
local terms energy: -60.423651
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -7.783
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -198.493923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.493923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.603685 (E_RNA)
where:
Base-Base interactions energy: -139.424
where: short stacking energy: -54.403
Base-Backbone interact. energy: -0.053
local terms energy: -59.127103
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -201.411700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.411700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.489757 (E_RNA)
where:
Base-Base interactions energy: -135.646
where: short stacking energy: -54.216
Base-Backbone interact. energy: 0.000
local terms energy: -65.844219
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.078 (S_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: 315
Temperature: 1.300000
Total energy: -177.078201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.078201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.262381 (E_RNA)
where:
Base-Base interactions energy: -121.270
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.079
local terms energy: -61.912802
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 6.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -195.311138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.311138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.350717 (E_RNA)
where:
Base-Base interactions energy: -136.705
where: short stacking energy: -52.815
Base-Backbone interact. energy: -0.131
local terms energy: -58.514134
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.040 (S_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: 316
Temperature: 0.900000
Total energy: -240.673697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.673697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.677584 (E_RNA)
where:
Base-Base interactions energy: -172.272
where: short stacking energy: -71.177
Base-Backbone interact. energy: -0.286
local terms energy: -68.119709
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -214.461969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.461969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.466613 (E_RNA)
where:
Base-Base interactions energy: -151.943
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.102
local terms energy: -62.421329
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.005 (S_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: 316
Temperature: 1.000000
Total energy: -218.917302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.937440 (E_RNA)
where:
Base-Base interactions energy: -163.040
where: short stacking energy: -63.284
Base-Backbone interact. energy: -0.000
local terms energy: -55.896746
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -196.048823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.696846 (E_RNA)
where:
Base-Base interactions energy: -133.788
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.604
local terms energy: -69.304540
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 7.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -211.625881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.625881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.634501 (E_RNA)
where:
Base-Base interactions energy: -147.561
where: short stacking energy: -59.989
Base-Backbone interact. energy: -0.000
local terms energy: -64.073541
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -203.387278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.387278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.467703 (E_RNA)
where:
Base-Base interactions energy: -148.196
where: short stacking energy: -58.895
Base-Backbone interact. energy: -0.000
local terms energy: -55.271089
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.080 (S_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: 316
Temperature: 1.200000
Total energy: -196.958437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.958437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.992658 (E_RNA)
where:
Base-Base interactions energy: -139.180
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.003
local terms energy: -57.809301
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -194.157984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.157984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.220372 (E_RNA)
where:
Base-Base interactions energy: -139.653
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.065
local terms energy: -54.502470
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -191.720679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.720679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774884 (E_RNA)
where:
Base-Base interactions energy: -134.326
where: short stacking energy: -58.266
Base-Backbone interact. energy: -0.533
local terms energy: -56.915962
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.054 (S_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: 316
Temperature: 1.350000
Total energy: -179.616096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.616096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.301063 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -46.415
Base-Backbone interact. energy: -0.026
local terms energy: -60.513193
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 6.685 (S_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: 317
Temperature: 0.900000
Total energy: -234.759609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.759609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.013844 (E_RNA)
where:
Base-Base interactions energy: -172.115
where: short stacking energy: -69.988
Base-Backbone interact. energy: -0.025
local terms energy: -62.873168
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.254 (S_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: 317
Temperature: 0.950000
Total energy: -222.180734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.180734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.180734 (E_RNA)
where:
Base-Base interactions energy: -159.483
where: short stacking energy: -61.996
Base-Backbone interact. energy: -0.005
local terms energy: -62.693503
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.964
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: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -213.716063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.716063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.767499 (E_RNA)
where:
Base-Base interactions energy: -152.946
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.028
local terms energy: -60.792839
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -215.195819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.195819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.471895 (E_RNA)
where:
Base-Base interactions energy: -155.859
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.022
local terms energy: -59.590962
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -197.848037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.848037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.136830 (E_RNA)
where:
Base-Base interactions energy: -135.476
where: short stacking energy: -55.209
Base-Backbone interact. energy: -1.037
local terms energy: -68.623767
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 7.289 (S_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: 317
Temperature: 1.150000
Total energy: -217.769185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.769185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.883994 (E_RNA)
where:
Base-Base interactions energy: -160.839
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.025
local terms energy: -57.019963
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -199.357823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.357823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.357823 (E_RNA)
where:
Base-Base interactions energy: -144.285
where: short stacking energy: -56.452
Base-Backbone interact. energy: 0.134
local terms energy: -55.206649
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -12.891
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: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -202.003316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.003316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.181239 (E_RNA)
where:
Base-Base interactions energy: -138.836
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.005
local terms energy: -63.340238
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -200.214801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.214801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.229059 (E_RNA)
where:
Base-Base interactions energy: -141.636
where: short stacking energy: -53.764
Base-Backbone interact. energy: -0.035
local terms energy: -58.558096
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.014 (S_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: 317
Temperature: 1.350000
Total energy: -181.513687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.513687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.597984 (E_RNA)
where:
Base-Base interactions energy: -129.299
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.037
local terms energy: -59.261327
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 7.084 (S_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: 318
Temperature: 0.900000
Total energy: -240.369221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.369221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.559434 (E_RNA)
where:
Base-Base interactions energy: -172.096
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.012
local terms energy: -68.452021
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.190 (S_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: 318
Temperature: 0.950000
Total energy: -213.756742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.756742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.768735 (E_RNA)
where:
Base-Base interactions energy: -156.388
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.000
local terms energy: -57.380389
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -232.515731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615778 (E_RNA)
where:
Base-Base interactions energy: -173.427
where: short stacking energy: -68.537
Base-Backbone interact. energy: -0.003
local terms energy: -59.185788
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.100 (S_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: 318
Temperature: 1.050000
Total energy: -206.515174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.515174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.560207 (E_RNA)
where:
Base-Base interactions energy: -144.410
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.535
local terms energy: -61.614923
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.045 (S_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: 318
Temperature: 1.100000
Total energy: -215.212667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.212667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.312826 (E_RNA)
where:
Base-Base interactions energy: -160.351
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.004
local terms energy: -54.957869
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -198.283637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.283637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.387461 (E_RNA)
where:
Base-Base interactions energy: -134.882
where: short stacking energy: -58.900
Base-Backbone interact. energy: -0.097
local terms energy: -70.408799
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 7.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -199.767622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.767622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.829199 (E_RNA)
where:
Base-Base interactions energy: -146.277
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.374
local terms energy: -53.178758
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -6.379
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -198.637223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.637223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.655008 (E_RNA)
where:
Base-Base interactions energy: -131.844
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.048
local terms energy: -66.763509
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.018 (S_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: 318
Temperature: 1.300000
Total energy: -180.688913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.688913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.067626 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -56.086
Base-Backbone interact. energy: 1.890
local terms energy: -62.626174
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -204.693139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.693139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.695906 (E_RNA)
where:
Base-Base interactions energy: -148.109
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.048
local terms energy: -56.539140
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.003 (S_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: 319
Temperature: 0.900000
Total energy: -233.931897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.931897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.165985 (E_RNA)
where:
Base-Base interactions energy: -174.796
where: short stacking energy: -73.662
Base-Backbone interact. energy: -0.072
local terms energy: -59.297968
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -228.055752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.055752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.060381 (E_RNA)
where:
Base-Base interactions energy: -170.164
where: short stacking energy: -69.199
Base-Backbone interact. energy: -0.004
local terms energy: -57.892564
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -211.157723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.157723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.157723 (E_RNA)
where:
Base-Base interactions energy: -145.256
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.003
local terms energy: -65.898566
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -213.783766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.783766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.827067 (E_RNA)
where:
Base-Base interactions energy: -149.316
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.001
local terms energy: -64.509480
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. 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: -210.182177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.182177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.215328 (E_RNA)
where:
Base-Base interactions energy: -150.694
where: short stacking energy: -58.813
Base-Backbone interact. energy: 0.254
local terms energy: -59.775761
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.033 (S_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: 319
Temperature: 1.150000
Total energy: -203.347502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.430939 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.024
local terms energy: -66.119206
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -177.241909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.241909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.156371 (E_RNA)
where:
Base-Base interactions energy: -125.619
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.017
local terms energy: -59.520638
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 7.914 (S_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: 319
Temperature: 1.250000
Total energy: -177.304540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.304540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.988615 (E_RNA)
where:
Base-Base interactions energy: -131.765
where: short stacking energy: -55.728
Base-Backbone interact. energy: -0.657
local terms energy: -55.566809
where:
bonds (distance) C4'-P energy: -5.674
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 10.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -196.103036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.103036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.233525 (E_RNA)
where:
Base-Base interactions energy: -142.407
where: short stacking energy: -58.606
Base-Backbone interact. energy: 0.841
local terms energy: -54.667539
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -9.360
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -201.643791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.643791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.720206 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.496
local terms energy: -61.390590
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -233.928107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.928107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.966821 (E_RNA)
where:
Base-Base interactions energy: -168.223
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.186
local terms energy: -65.557536
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -229.664795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.664795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.678562 (E_RNA)
where:
Base-Base interactions energy: -168.119
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.581
local terms energy: -60.978200
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -211.495414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.495414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.731323 (E_RNA)
where:
Base-Base interactions energy: -149.034
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.371
local terms energy: -62.326067
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.236 (S_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: 320
Temperature: 1.050000
Total energy: -216.403394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.403394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.431156 (E_RNA)
where:
Base-Base interactions energy: -150.257
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.085
local terms energy: -66.089013
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -207.517411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.517411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.577218 (E_RNA)
where:
Base-Base interactions energy: -150.551
where: short stacking energy: -62.620
Base-Backbone interact. energy: -0.052
local terms energy: -56.974739
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.060 (S_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: 320
Temperature: 1.150000
Total energy: -214.211792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.211792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.283746 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.019
local terms energy: -57.103002
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -181.251159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.251159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.436662 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.041
local terms energy: -60.399567
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 7.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -185.060864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.060864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.651832 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -58.622
Base-Backbone interact. energy: 0.371
local terms energy: -53.188146
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 7.591 (S_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: 320
Temperature: 1.300000
Total energy: -191.850858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.850858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.999311 (E_RNA)
where:
Base-Base interactions energy: -142.690
where: short stacking energy: -56.983
Base-Backbone interact. energy: -0.040
local terms energy: -49.269072
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.148 (S_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: 320
Temperature: 1.350000
Total energy: -184.474851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.474851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.514737 (E_RNA)
where:
Base-Base interactions energy: -129.682
where: short stacking energy: -49.697
Base-Backbone interact. energy: -0.088
local terms energy: -54.745664
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -236.236405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.236405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.265517 (E_RNA)
where:
Base-Base interactions energy: -173.723
where: short stacking energy: -72.078
Base-Backbone interact. energy: -0.059
local terms energy: -62.483671
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -239.060470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.060470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.092925 (E_RNA)
where:
Base-Base interactions energy: -172.103
where: short stacking energy: -67.735
Base-Backbone interact. energy: -0.042
local terms energy: -66.948351
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.032 (S_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: 321
Temperature: 1.000000
Total energy: -209.172761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172761 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.122
local terms energy: -63.141489
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -214.398420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.398420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.422594 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.003
local terms energy: -58.416836
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.024 (S_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: 321
Temperature: 1.100000
Total energy: -215.675785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.675785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.678881 (E_RNA)
where:
Base-Base interactions energy: -153.480
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.640
local terms energy: -61.558836
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -196.104987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.104987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.661322 (E_RNA)
where:
Base-Base interactions energy: -135.668
where: short stacking energy: -59.836
Base-Backbone interact. energy: -1.397
local terms energy: -65.596670
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 6.556 (S_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: 321
Temperature: 1.200000
Total energy: -197.178470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.178470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.238289 (E_RNA)
where:
Base-Base interactions energy: -133.927
where: short stacking energy: -53.039
Base-Backbone interact. energy: -0.046
local terms energy: -63.264424
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.060 (S_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: 321
Temperature: 1.250000
Total energy: -195.983577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.052929 (E_RNA)
where:
Base-Base interactions energy: -145.249
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.289
local terms energy: -50.514763
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -7.624
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -174.190554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.190554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.348346 (E_RNA)
where:
Base-Base interactions energy: -128.753
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.587
local terms energy: -52.009294
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 7.158 (S_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: 321
Temperature: 1.350000
Total energy: -186.144342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.144342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.320944 (E_RNA)
where:
Base-Base interactions energy: -135.264
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.008
local terms energy: -51.048792
where:
bonds (distance) C4'-P energy: -5.203
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -229.474870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.474870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.526968 (E_RNA)
where:
Base-Base interactions energy: -167.354
where: short stacking energy: -67.823
Base-Backbone interact. energy: -0.002
local terms energy: -62.170786
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -235.042310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.042310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.090324 (E_RNA)
where:
Base-Base interactions energy: -168.687
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.002
local terms energy: -66.400501
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -215.167648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.167648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.171996 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.089
local terms energy: -67.448303
where:
bonds (distance) C4'-P energy: -7.202
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -209.015995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.151799 (E_RNA)
where:
Base-Base interactions energy: -148.522
where: short stacking energy: -60.272
Base-Backbone interact. energy: -0.001
local terms energy: -60.629149
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.136 (S_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: 322
Temperature: 1.100000
Total energy: -204.891514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.891514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.937683 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -57.649
Base-Backbone interact. energy: 1.088
local terms energy: -64.022397
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -202.565859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.565859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.850432 (E_RNA)
where:
Base-Base interactions energy: -142.522
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.401
local terms energy: -65.927579
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 6.285 (S_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: 322
Temperature: 1.200000
Total energy: -199.941115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.941115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.997757 (E_RNA)
where:
Base-Base interactions energy: -139.443
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.006
local terms energy: -60.549599
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.057 (S_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: 322
Temperature: 1.250000
Total energy: -194.060516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.060516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.530225 (E_RNA)
where:
Base-Base interactions energy: -140.024
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.110
local terms energy: -54.396013
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.470 (S_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: 322
Temperature: 1.300000
Total energy: -186.820030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.820030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.181824 (E_RNA)
where:
Base-Base interactions energy: -125.434
where: short stacking energy: -49.952
Base-Backbone interact. energy: -0.012
local terms energy: -61.736191
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.362 (S_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: 322
Temperature: 1.350000
Total energy: -172.183933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.183933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.681724 (E_RNA)
where:
Base-Base interactions energy: -123.605
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.253
local terms energy: -56.823580
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 8.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -232.293576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.293576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.401752 (E_RNA)
where:
Base-Base interactions energy: -167.941
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.025
local terms energy: -64.436049
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -216.723980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.875117 (E_RNA)
where:
Base-Base interactions energy: -157.685
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.000
local terms energy: -59.189848
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.151 (S_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: 323
Temperature: 1.000000
Total energy: -232.535621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.535621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.548689 (E_RNA)
where:
Base-Base interactions energy: -168.915
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.027
local terms energy: -63.607018
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.013 (S_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: -211.202088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.202088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303334 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.001
local terms energy: -71.266380
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.101 (S_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: 323
Temperature: 1.100000
Total energy: -226.633137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.633137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692191 (E_RNA)
where:
Base-Base interactions energy: -166.924
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.001
local terms energy: -59.766389
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.059 (S_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: 323
Temperature: 1.150000
Total energy: -206.651540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.651540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.704001 (E_RNA)
where:
Base-Base interactions energy: -143.655
where: short stacking energy: -59.795
Base-Backbone interact. energy: -0.211
local terms energy: -62.837833
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.052 (S_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: 323
Temperature: 1.200000
Total energy: -189.175585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.335322 (E_RNA)
where:
Base-Base interactions energy: -142.049
where: short stacking energy: -61.874
Base-Backbone interact. energy: -1.295
local terms energy: -53.991212
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 8.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -201.118943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.118943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.145725 (E_RNA)
where:
Base-Base interactions energy: -146.119
where: short stacking energy: -63.375
Base-Backbone interact. energy: -0.186
local terms energy: -54.840725
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.027 (S_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: 323
Temperature: 1.300000
Total energy: -195.515433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.515433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.607314 (E_RNA)
where:
Base-Base interactions energy: -134.780
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.005
local terms energy: -60.822511
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.092 (S_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: 323
Temperature: 1.350000
Total energy: -180.320744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.320744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.332726 (E_RNA)
where:
Base-Base interactions energy: -131.987
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.355
local terms energy: -55.990278
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 8.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -233.244373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.244373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.378435 (E_RNA)
where:
Base-Base interactions energy: -174.033
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.158
local terms energy: -59.187885
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -217.967404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.967404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.025688 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.412
local terms energy: -69.453224
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.058 (S_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: 324
Temperature: 1.000000
Total energy: -233.863547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.863547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.887161 (E_RNA)
where:
Base-Base interactions energy: -169.284
where: short stacking energy: -67.679
Base-Backbone interact. energy: -0.090
local terms energy: -64.513459
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.024 (S_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: -205.191586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.298622 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.020
local terms energy: -60.320578
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -13.016
Dist. restrs. and SS energy: 0.107 (S_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: 324
Temperature: 1.100000
Total energy: -204.699496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.699496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.807848 (E_RNA)
where:
Base-Base interactions energy: -140.878
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.005
local terms energy: -63.925704
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.108 (S_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: 324
Temperature: 1.150000
Total energy: -221.305801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.305801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.334710 (E_RNA)
where:
Base-Base interactions energy: -161.678
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.001
local terms energy: -59.656285
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. 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: -219.265379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.265379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.326663 (E_RNA)
where:
Base-Base interactions energy: -164.892
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.839
local terms energy: -53.595450
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.061 (S_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: 324
Temperature: 1.250000
Total energy: -183.663018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.663018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.098831 (E_RNA)
where:
Base-Base interactions energy: -134.433
where: short stacking energy: -59.225
Base-Backbone interact. energy: -0.004
local terms energy: -55.661856
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 6.436 (S_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: 324
Temperature: 1.300000
Total energy: -194.544519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.544519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.755076 (E_RNA)
where:
Base-Base interactions energy: -135.843
where: short stacking energy: -51.689
Base-Backbone interact. energy: -0.013
local terms energy: -58.898718
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.211 (S_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: 324
Temperature: 1.350000
Total energy: -171.651076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.651076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.196198 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -48.864
Base-Backbone interact. energy: -0.077
local terms energy: -60.520076
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 8.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -236.422967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.422967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.446852 (E_RNA)
where:
Base-Base interactions energy: -173.161
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.006
local terms energy: -63.280018
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -231.836037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.836037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.844958 (E_RNA)
where:
Base-Base interactions energy: -166.121
where: short stacking energy: -66.663
Base-Backbone interact. energy: -0.487
local terms energy: -65.236618
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -218.046670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.046670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.063032 (E_RNA)
where:
Base-Base interactions energy: -157.732
where: short stacking energy: -65.580
Base-Backbone interact. energy: -0.023
local terms energy: -60.308180
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -208.134696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.134696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.271341 (E_RNA)
where:
Base-Base interactions energy: -141.366
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.085
local terms energy: -66.820873
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.137 (S_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: -209.716139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.773622 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -55.889
Base-Backbone interact. energy: 0.025
local terms energy: -68.486267
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.057 (S_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: 325
Temperature: 1.150000
Total energy: -206.746168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.746168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.790426 (E_RNA)
where:
Base-Base interactions energy: -143.755
where: short stacking energy: -56.671
Base-Backbone interact. energy: 0.951
local terms energy: -63.986444
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. 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: -196.042769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.042769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.042769 (E_RNA)
where:
Base-Base interactions energy: -145.912
where: short stacking energy: -55.054
Base-Backbone interact. energy: 0.666
local terms energy: -50.796482
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -12.998
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: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -186.167525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.167525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.124468 (E_RNA)
where:
Base-Base interactions energy: -138.900
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.013
local terms energy: -54.212129
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -7.079
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 6.957 (S_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: 325
Temperature: 1.300000
Total energy: -199.991161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.991161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.188864 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.006
local terms energy: -54.901879
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.198 (S_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: 325
Temperature: 1.350000
Total energy: -171.845132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.845132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.116837 (E_RNA)
where:
Base-Base interactions energy: -127.565
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.415
local terms energy: -52.136731
where:
bonds (distance) C4'-P energy: -5.970
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 8.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -226.162027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.162027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.170337 (E_RNA)
where:
Base-Base interactions energy: -162.129
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.122
local terms energy: -63.918947
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -229.553508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.553508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.589283 (E_RNA)
where:
Base-Base interactions energy: -167.527
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.191
local terms energy: -61.870712
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. 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: -210.791424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.791424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.860540 (E_RNA)
where:
Base-Base interactions energy: -146.025
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.004
local terms energy: -64.831725
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. 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: -210.117894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.117894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.169930 (E_RNA)
where:
Base-Base interactions energy: -152.371
where: short stacking energy: -59.582
Base-Backbone interact. energy: -0.565
local terms energy: -57.233056
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.052 (S_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: 326
Temperature: 1.100000
Total energy: -208.480539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.480539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564493 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.045
local terms energy: -64.562644
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.084 (S_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: -207.132836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.245257 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -61.671
Base-Backbone interact. energy: -0.001
local terms energy: -67.703226
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -190.309705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.309705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.298080 (E_RNA)
where:
Base-Base interactions energy: -142.271
where: short stacking energy: -60.635
Base-Backbone interact. energy: -0.004
local terms energy: -55.022937
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 6.988 (S_DIST_RNA)
chem. 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: -196.674988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.674988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.780536 (E_RNA)
where:
Base-Base interactions energy: -133.885
where: short stacking energy: -54.177
Base-Backbone interact. energy: -0.061
local terms energy: -62.834184
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.106 (S_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: 326
Temperature: 1.300000
Total energy: -176.511997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.511997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.334880 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -52.458
Base-Backbone interact. energy: -1.397
local terms energy: -60.436692
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 7.823 (S_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: 326
Temperature: 1.350000
Total energy: -197.998392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.998392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.197913 (E_RNA)
where:
Base-Base interactions energy: -144.741
where: short stacking energy: -59.322
Base-Backbone interact. energy: -0.074
local terms energy: -53.382853
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -220.968167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.968167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.091515 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.001
local terms energy: -64.076170
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -237.273855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.289483 (E_RNA)
where:
Base-Base interactions energy: -177.326
where: short stacking energy: -72.711
Base-Backbone interact. energy: -0.022
local terms energy: -59.940617
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. 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: -209.684348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.684348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.702676 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -58.887
Base-Backbone interact. energy: -0.018
local terms energy: -69.428148
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -203.262262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.262262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.262262 (E_RNA)
where:
Base-Base interactions energy: -142.778
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.105
local terms energy: -60.378880
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -215.611230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.611230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638666 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.430
local terms energy: -53.502429
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -198.717711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.717711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.691553 (E_RNA)
where:
Base-Base interactions energy: -142.865
where: short stacking energy: -63.644
Base-Backbone interact. energy: 0.018
local terms energy: -62.844537
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 6.974 (S_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: 327
Temperature: 1.200000
Total energy: -201.603669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.603669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.795343 (E_RNA)
where:
Base-Base interactions energy: -150.411
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.219
local terms energy: -51.165901
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -7.584
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.192 (S_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: 327
Temperature: 1.250000
Total energy: -184.964675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.964675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.698834 (E_RNA)
where:
Base-Base interactions energy: -126.089
where: short stacking energy: -55.781
Base-Backbone interact. energy: -0.013
local terms energy: -65.596083
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 6.734 (S_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: -185.971154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.971154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.984532 (E_RNA)
where:
Base-Base interactions energy: -137.561
where: short stacking energy: -52.238
Base-Backbone interact. energy: -0.144
local terms energy: -48.278981
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.013 (S_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: 327
Temperature: 1.350000
Total energy: -192.149993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.149993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.192517 (E_RNA)
where:
Base-Base interactions energy: -137.791
where: short stacking energy: -49.799
Base-Backbone interact. energy: -0.341
local terms energy: -54.060574
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.043 (S_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: 328
Temperature: 0.900000
Total energy: -231.394648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.394648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.397888 (E_RNA)
where:
Base-Base interactions energy: -173.478
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.206
local terms energy: -57.714268
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -210.079237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.079237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.087985 (E_RNA)
where:
Base-Base interactions energy: -145.968
where: short stacking energy: -59.242
Base-Backbone interact. energy: -0.006
local terms energy: -64.114344
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -214.483316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.483316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.505546 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.001
local terms energy: -68.356830
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -209.014299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.014299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.051374 (E_RNA)
where:
Base-Base interactions energy: -147.799
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.111
local terms energy: -61.141452
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -8.234
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.037 (S_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: 328
Temperature: 1.100000
Total energy: -221.514362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.514362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.553105 (E_RNA)
where:
Base-Base interactions energy: -162.355
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.502
local terms energy: -58.696038
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -186.714203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.714203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.589086 (E_RNA)
where:
Base-Base interactions energy: -130.525
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.250
local terms energy: -62.813808
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 6.875 (S_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: 328
Temperature: 1.200000
Total energy: -204.947705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.947705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.129969 (E_RNA)
where:
Base-Base interactions energy: -146.392
where: short stacking energy: -58.435
Base-Backbone interact. energy: -0.076
local terms energy: -58.662569
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -186.793958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.793958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.007773 (E_RNA)
where:
Base-Base interactions energy: -137.283
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.411
local terms energy: -57.314303
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 8.214 (S_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: 328
Temperature: 1.300000
Total energy: -192.972489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.972489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.198776 (E_RNA)
where:
Base-Base interactions energy: -135.910
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.062
local terms energy: -57.226800
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.226 (S_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: -185.654692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.441037 (E_RNA)
where:
Base-Base interactions energy: -129.624
where: short stacking energy: -54.446
Base-Backbone interact. energy: -0.063
local terms energy: -56.754207
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.786 (S_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: 329
Temperature: 0.900000
Total energy: -241.245987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.245987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.347214 (E_RNA)
where:
Base-Base interactions energy: -174.448
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.027
local terms energy: -66.871654
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.101 (S_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: 329
Temperature: 0.950000
Total energy: -214.653563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.653563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.660099 (E_RNA)
where:
Base-Base interactions energy: -146.679
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.004
local terms energy: -67.977780
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -212.751175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.083859 (E_RNA)
where:
Base-Base interactions energy: -146.294
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.289
local terms energy: -66.501357
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -224.031974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.031974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.143219 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.810
local terms energy: -60.880142
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.111 (S_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: 329
Temperature: 1.100000
Total energy: -212.236739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.236739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.530373 (E_RNA)
where:
Base-Base interactions energy: -150.804
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.312
local terms energy: -61.414667
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.294 (S_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: 329
Temperature: 1.150000
Total energy: -206.772162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.772162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.781672 (E_RNA)
where:
Base-Base interactions energy: -145.605
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.000
local terms energy: -61.176014
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.010 (S_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: 329
Temperature: 1.200000
Total energy: -188.914353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.914353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.243329 (E_RNA)
where:
Base-Base interactions energy: -130.219
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.066
local terms energy: -65.957676
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 7.329 (S_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: 329
Temperature: 1.250000
Total energy: -199.530950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.530950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.530950 (E_RNA)
where:
Base-Base interactions energy: -141.424
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.244
local terms energy: -57.862139
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -14.355
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: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -177.592369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.592369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.400971 (E_RNA)
where:
Base-Base interactions energy: -124.539
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.001
local terms energy: -60.861149
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 7.809 (S_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: -195.559719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.559719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.594536 (E_RNA)
where:
Base-Base interactions energy: -141.794
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.001
local terms energy: -53.799043
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -236.461308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.461308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.493976 (E_RNA)
where:
Base-Base interactions energy: -171.485
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.019
local terms energy: -64.989466
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -231.466658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.466658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.495458 (E_RNA)
where:
Base-Base interactions energy: -168.680
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.124
local terms energy: -62.690941
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -221.667262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.667262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.766578 (E_RNA)
where:
Base-Base interactions energy: -162.553
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.405
local terms energy: -58.807877
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -209.125026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.125026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.348439 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.059
local terms energy: -67.762473
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.223 (S_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: 330
Temperature: 1.100000
Total energy: -213.488728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.488728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.488728 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -57.234
Base-Backbone interact. energy: -0.000
local terms energy: -68.236797
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -203.418033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.445424 (E_RNA)
where:
Base-Base interactions energy: -146.141
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.399
local terms energy: -56.904742
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.027 (S_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: 330
Temperature: 1.200000
Total energy: -203.462564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.462564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.473985 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -51.627
Base-Backbone interact. energy: -0.173
local terms energy: -62.597413
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.011 (S_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: 330
Temperature: 1.250000
Total energy: -175.333939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.333939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.405678 (E_RNA)
where:
Base-Base interactions energy: -127.994
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.057
local terms energy: -55.354655
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 8.072 (S_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: -198.454189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.454189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.465352 (E_RNA)
where:
Base-Base interactions energy: -137.465
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.001
local terms energy: -60.998395
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.011 (S_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: 330
Temperature: 1.350000
Total energy: -171.671083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.853489 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -44.535
Base-Backbone interact. energy: -1.015
local terms energy: -58.563512
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 7.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -225.448111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.448111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.564682 (E_RNA)
where:
Base-Base interactions energy: -160.737
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.000
local terms energy: -64.827261
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.117 (S_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: 331
Temperature: 0.950000
Total energy: -219.308495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.308495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.401302 (E_RNA)
where:
Base-Base interactions energy: -159.700
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.001
local terms energy: -59.699923
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.093 (S_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: 331
Temperature: 1.000000
Total energy: -234.298848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.298848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.407563 (E_RNA)
where:
Base-Base interactions energy: -169.403
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.027
local terms energy: -64.978295
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -219.980180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.980180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.015590 (E_RNA)
where:
Base-Base interactions energy: -161.321
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.632
local terms energy: -58.062546
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.035 (S_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: 331
Temperature: 1.100000
Total energy: -203.295784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.295784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.430332 (E_RNA)
where:
Base-Base interactions energy: -146.262
where: short stacking energy: -57.975
Base-Backbone interact. energy: -0.039
local terms energy: -57.129011
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -10.266
Dist. restrs. and SS energy: 0.135 (S_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: -224.123181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.123181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.123181 (E_RNA)
where:
Base-Base interactions energy: -164.800
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.003
local terms energy: -59.319494
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -5.653
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: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -204.769451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.769451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.769451 (E_RNA)
where:
Base-Base interactions energy: -143.899
where: short stacking energy: -53.377
Base-Backbone interact. energy: -0.018
local terms energy: -60.852234
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -18.395
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: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -196.227548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.227548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.227548 (E_RNA)
where:
Base-Base interactions energy: -138.813
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.158
local terms energy: -57.256779
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -6.652
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: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -171.989710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.989710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.199913 (E_RNA)
where:
Base-Base interactions energy: -125.915
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.044
local terms energy: -53.240455
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -6.314
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 7.210 (S_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: 331
Temperature: 1.350000
Total energy: -177.997540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.997540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.693291 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -54.630
Base-Backbone interact. energy: -0.256
local terms energy: -57.559346
where:
bonds (distance) C4'-P energy: -6.662
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 7.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -225.722980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.722980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.754570 (E_RNA)
where:
Base-Base interactions energy: -167.237
where: short stacking energy: -67.433
Base-Backbone interact. energy: -0.000
local terms energy: -58.517205
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.032 (S_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: 332
Temperature: 0.950000
Total energy: -219.638361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.638361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.796234 (E_RNA)
where:
Base-Base interactions energy: -163.681
where: short stacking energy: -70.011
Base-Backbone interact. energy: -0.010
local terms energy: -56.105779
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -213.380872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.380872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.429242 (E_RNA)
where:
Base-Base interactions energy: -149.886
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.033
local terms energy: -63.510331
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.048 (S_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: 332
Temperature: 1.050000
Total energy: -228.060991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.060991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.259718 (E_RNA)
where:
Base-Base interactions energy: -175.938
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.092
local terms energy: -52.229668
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -7.791
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.199 (S_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: 332
Temperature: 1.100000
Total energy: -208.933370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.933370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.047039 (E_RNA)
where:
Base-Base interactions energy: -140.520
where: short stacking energy: -58.606
Base-Backbone interact. energy: 0.177
local terms energy: -68.704953
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.114 (S_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: 332
Temperature: 1.150000
Total energy: -203.277078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.277078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.277078 (E_RNA)
where:
Base-Base interactions energy: -141.579
where: short stacking energy: -56.138
Base-Backbone interact. energy: -0.136
local terms energy: -61.562132
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -203.775219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.775219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.833363 (E_RNA)
where:
Base-Base interactions energy: -139.513
where: short stacking energy: -55.288
Base-Backbone interact. energy: 0.460
local terms energy: -64.780221
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.058 (S_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: 332
Temperature: 1.250000
Total energy: -203.259101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.259101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.417359 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.007
local terms energy: -60.413600
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -174.362836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.362836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.007308 (E_RNA)
where:
Base-Base interactions energy: -129.078
where: short stacking energy: -50.770
Base-Backbone interact. energy: -0.866
local terms energy: -53.063093
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 8.644 (S_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: 332
Temperature: 1.350000
Total energy: -165.968577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.968577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.559784 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -57.783
Base-Backbone interact. energy: 0.379
local terms energy: -51.714361
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 12.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -215.480585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.480585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.480585 (E_RNA)
where:
Base-Base interactions energy: -152.092
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.049
local terms energy: -63.339929
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -214.978263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.978263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.008220 (E_RNA)
where:
Base-Base interactions energy: -161.146
where: short stacking energy: -64.188
Base-Backbone interact. energy: -0.002
local terms energy: -53.860471
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.030 (S_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: 333
Temperature: 1.000000
Total energy: -218.234488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.234488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.370998 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.999
local terms energy: -62.975675
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.137 (S_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: 333
Temperature: 1.050000
Total energy: -212.471850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.471850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514703 (E_RNA)
where:
Base-Base interactions energy: -147.250
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.631
local terms energy: -64.634202
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.043 (S_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: 333
Temperature: 1.100000
Total energy: -224.380941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.380941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.391789 (E_RNA)
where:
Base-Base interactions energy: -165.936
where: short stacking energy: -67.882
Base-Backbone interact. energy: -0.000
local terms energy: -58.455832
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -194.766932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.766932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.923373 (E_RNA)
where:
Base-Base interactions energy: -133.026
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.309
local terms energy: -61.588158
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -205.753853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.753853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.851571 (E_RNA)
where:
Base-Base interactions energy: -150.561
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.004
local terms energy: -55.286338
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.098 (S_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: 333
Temperature: 1.250000
Total energy: -208.491353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.491353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.617905 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.002
local terms energy: -54.464338
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.127 (S_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: 333
Temperature: 1.300000
Total energy: -183.939765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.939765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.559627 (E_RNA)
where:
Base-Base interactions energy: -127.972
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.049
local terms energy: -62.538080
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 6.620 (S_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: 333
Temperature: 1.350000
Total energy: -173.023444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.023444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.426232 (E_RNA)
where:
Base-Base interactions energy: -118.446
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.778
local terms energy: -60.202680
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 6.403 (S_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: 334
Temperature: 0.900000
Total energy: -230.669182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.669182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.669182 (E_RNA)
where:
Base-Base interactions energy: -169.931
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.037
local terms energy: -60.700989
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -14.732
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -217.605967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.605967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.607834 (E_RNA)
where:
Base-Base interactions energy: -153.194
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.069
local terms energy: -64.345060
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.002 (S_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: 334
Temperature: 1.000000
Total energy: -217.027642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.027642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.111745 (E_RNA)
where:
Base-Base interactions energy: -161.317
where: short stacking energy: -64.707
Base-Backbone interact. energy: 0.787
local terms energy: -56.581697
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.084 (S_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: 334
Temperature: 1.050000
Total energy: -219.516919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.516919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650995 (E_RNA)
where:
Base-Base interactions energy: -164.755
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.024
local terms energy: -54.871385
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -7.642
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.134 (S_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: 334
Temperature: 1.100000
Total energy: -210.389565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.389565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.593660 (E_RNA)
where:
Base-Base interactions energy: -147.146
where: short stacking energy: -61.391
Base-Backbone interact. energy: 0.215
local terms energy: -63.662643
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.204 (S_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: 334
Temperature: 1.150000
Total energy: -211.717843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.717843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.762437 (E_RNA)
where:
Base-Base interactions energy: -155.379
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.074
local terms energy: -56.309907
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.045 (S_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: 334
Temperature: 1.200000
Total energy: -203.372422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.372422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.495033 (E_RNA)
where:
Base-Base interactions energy: -140.809
where: short stacking energy: -59.233
Base-Backbone interact. energy: 0.317
local terms energy: -63.002255
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. 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: -195.780311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.780311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.982214 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -54.719
Base-Backbone interact. energy: 1.394
local terms energy: -61.027191
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.202 (S_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: 334
Temperature: 1.300000
Total energy: -183.643524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.643524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.676687 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.002
local terms energy: -59.861747
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 7.033 (S_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: 334
Temperature: 1.350000
Total energy: -173.057569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.057569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.299290 (E_RNA)
where:
Base-Base interactions energy: -125.398
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.088
local terms energy: -53.813555
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 6.242 (S_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: 335
Temperature: 0.900000
Total energy: -231.311200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.311200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.361083 (E_RNA)
where:
Base-Base interactions energy: -169.185
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.017
local terms energy: -62.159144
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.050 (S_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: 335
Temperature: 0.950000
Total energy: -220.947524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.948278 (E_RNA)
where:
Base-Base interactions energy: -149.219
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.001
local terms energy: -71.727919
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -217.000891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.000891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.027482 (E_RNA)
where:
Base-Base interactions energy: -154.151
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.000
local terms energy: -62.876060
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.027 (S_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: 335
Temperature: 1.050000
Total energy: -214.056259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.056259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.070488 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -58.479
Base-Backbone interact. energy: -0.052
local terms energy: -62.088434
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.014 (S_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: 335
Temperature: 1.100000
Total energy: -210.859313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.859313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075681 (E_RNA)
where:
Base-Base interactions energy: -156.306
where: short stacking energy: -62.659
Base-Backbone interact. energy: 0.776
local terms energy: -55.545455
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -211.971439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.971439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.972198 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -60.864
Base-Backbone interact. energy: 0.150
local terms energy: -53.821030
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -203.235564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.235564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.422179 (E_RNA)
where:
Base-Base interactions energy: -143.136
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.004
local terms energy: -60.281558
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.187 (S_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: 335
Temperature: 1.250000
Total energy: -177.657464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.657464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.508232 (E_RNA)
where:
Base-Base interactions energy: -120.447
where: short stacking energy: -45.064
Base-Backbone interact. energy: -2.924
local terms energy: -61.137409
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 6.851 (S_DIST_RNA)
chem. 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: -191.387471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.387471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442953 (E_RNA)
where:
Base-Base interactions energy: -130.100
where: short stacking energy: -50.222
Base-Backbone interact. energy: -0.002
local terms energy: -61.341827
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.055 (S_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: 335
Temperature: 1.350000
Total energy: -169.360099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.360099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.916923 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.070
local terms energy: -54.874692
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 9.557 (S_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: 336
Temperature: 0.900000
Total energy: -232.825238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.825238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.825238 (E_RNA)
where:
Base-Base interactions energy: -173.127
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.020
local terms energy: -59.678943
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -217.880044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.909754 (E_RNA)
where:
Base-Base interactions energy: -148.279
where: short stacking energy: -62.501
Base-Backbone interact. energy: -0.082
local terms energy: -69.548786
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.030 (S_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: 336
Temperature: 1.000000
Total energy: -212.362035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.362035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.395803 (E_RNA)
where:
Base-Base interactions energy: -150.534
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.077
local terms energy: -61.784177
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -215.589674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.589674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.589674 (E_RNA)
where:
Base-Base interactions energy: -158.385
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.009
local terms energy: -57.195418
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -201.505400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.505400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.589805 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.002
local terms energy: -60.617974
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -204.235819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.235819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.235819 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.007
local terms energy: -61.078506
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -186.882776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.882776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.457999 (E_RNA)
where:
Base-Base interactions energy: -138.487
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.038
local terms energy: -55.933158
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -7.452
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 7.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -202.930167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.930167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056593 (E_RNA)
where:
Base-Base interactions energy: -140.560
where: short stacking energy: -56.808
Base-Backbone interact. energy: -0.006
local terms energy: -62.491077
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.126 (S_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: 336
Temperature: 1.300000
Total energy: -177.757742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.757742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.636007 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.001
local terms energy: -61.912153
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 7.878 (S_DIST_RNA)
chem. 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: -196.015645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.015645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.249862 (E_RNA)
where:
Base-Base interactions energy: -138.703
where: short stacking energy: -54.389
Base-Backbone interact. energy: -0.000
local terms energy: -57.546009
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.234 (S_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: 337
Temperature: 0.900000
Total energy: -236.855130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.855130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883647 (E_RNA)
where:
Base-Base interactions energy: -171.756
where: short stacking energy: -64.369
Base-Backbone interact. energy: -0.011
local terms energy: -65.116526
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -218.253056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.253056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.295087 (E_RNA)
where:
Base-Base interactions energy: -158.214
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.003
local terms energy: -60.078773
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -1.845
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.042 (S_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: 337
Temperature: 1.000000
Total energy: -227.575993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.575993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.575993 (E_RNA)
where:
Base-Base interactions energy: -166.742
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.013
local terms energy: -60.820882
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -212.811287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.811287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.993347 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.004
local terms energy: -68.583203
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -209.082789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.082789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.133854 (E_RNA)
where:
Base-Base interactions energy: -154.551
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.002
local terms energy: -54.580278
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.051 (S_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: 337
Temperature: 1.150000
Total energy: -208.373699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.671524 (E_RNA)
where:
Base-Base interactions energy: -143.897
where: short stacking energy: -60.573
Base-Backbone interact. energy: -0.156
local terms energy: -64.618604
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.298 (S_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: 337
Temperature: 1.200000
Total energy: -196.623790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.623790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.338512 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -67.987
Base-Backbone interact. energy: -0.366
local terms energy: -62.640411
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 7.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -207.542927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.542927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.568086 (E_RNA)
where:
Base-Base interactions energy: -152.869
where: short stacking energy: -59.053
Base-Backbone interact. energy: 0.347
local terms energy: -55.046470
where:
bonds (distance) C4'-P energy: -4.489
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.025 (S_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: 337
Temperature: 1.300000
Total energy: -184.787068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.787068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.278147 (E_RNA)
where:
Base-Base interactions energy: -138.567
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.105
local terms energy: -53.606444
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 7.491 (S_DIST_RNA)
chem. 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: -190.060830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.060830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.241720 (E_RNA)
where:
Base-Base interactions energy: -133.359
where: short stacking energy: -51.317
Base-Backbone interact. energy: -0.020
local terms energy: -56.862479
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -225.182043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.182043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.269112 (E_RNA)
where:
Base-Base interactions energy: -162.164
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.191
local terms energy: -62.913916
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.087 (S_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: 338
Temperature: 0.950000
Total energy: -234.007481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.007481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.030151 (E_RNA)
where:
Base-Base interactions energy: -169.811
where: short stacking energy: -69.484
Base-Backbone interact. energy: 0.459
local terms energy: -64.677911
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.023 (S_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: 338
Temperature: 1.000000
Total energy: -212.484542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.484542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.683158 (E_RNA)
where:
Base-Base interactions energy: -144.475
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.290
local terms energy: -67.918040
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.199 (S_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: 338
Temperature: 1.050000
Total energy: -214.747630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.747630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.802227 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.000
local terms energy: -69.209083
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.055 (S_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: 338
Temperature: 1.100000
Total energy: -206.061525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.061525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.101837 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.266
local terms energy: -58.224010
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.040 (S_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: 338
Temperature: 1.150000
Total energy: -204.296148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.296148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.590447 (E_RNA)
where:
Base-Base interactions energy: -146.204
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.169
local terms energy: -58.217771
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.294 (S_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: 338
Temperature: 1.200000
Total energy: -207.563510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563510 (E_RNA)
where:
Base-Base interactions energy: -143.833
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.058
local terms energy: -63.673052
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -15.714
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: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -187.489788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.845607 (E_RNA)
where:
Base-Base interactions energy: -132.311
where: short stacking energy: -54.387
Base-Backbone interact. energy: -0.055
local terms energy: -62.479720
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 7.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -195.760680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.760680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.873177 (E_RNA)
where:
Base-Base interactions energy: -139.826
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.004
local terms energy: -56.042809
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.112 (S_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: 338
Temperature: 1.350000
Total energy: -179.746425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.949686 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.007
local terms energy: -54.307673
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 7.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -236.147764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.147764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.147764 (E_RNA)
where:
Base-Base interactions energy: -168.350
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.010
local terms energy: -67.787984
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -216.813190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.813190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.839786 (E_RNA)
where:
Base-Base interactions energy: -152.571
where: short stacking energy: -59.216
Base-Backbone interact. energy: -0.000
local terms energy: -64.268241
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -231.553856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.553856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.682840 (E_RNA)
where:
Base-Base interactions energy: -169.826
where: short stacking energy: -69.395
Base-Backbone interact. energy: 0.450
local terms energy: -62.306645
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.129 (S_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: 339
Temperature: 1.050000
Total energy: -207.325093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.325093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.429119 (E_RNA)
where:
Base-Base interactions energy: -145.234
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.477
local terms energy: -61.718806
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.104 (S_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: 339
Temperature: 1.100000
Total energy: -210.454932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.454932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.485653 (E_RNA)
where:
Base-Base interactions energy: -145.533
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.541
local terms energy: -64.411673
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.031 (S_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: 339
Temperature: 1.150000
Total energy: -206.335330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.335330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.518079 (E_RNA)
where:
Base-Base interactions energy: -143.218
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.123
local terms energy: -63.177274
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -204.387558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.387558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.501035 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.000
local terms energy: -63.466271
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -190.303748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.303748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.213506 (E_RNA)
where:
Base-Base interactions energy: -138.194
where: short stacking energy: -55.576
Base-Backbone interact. energy: -0.094
local terms energy: -58.925787
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 6.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -208.670758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.670758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.733142 (E_RNA)
where:
Base-Base interactions energy: -144.761
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.100
local terms energy: -63.872867
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.062 (S_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: 339
Temperature: 1.350000
Total energy: -178.031508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.031508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.450285 (E_RNA)
where:
Base-Base interactions energy: -123.631
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.027
local terms energy: -60.792407
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 6.419 (S_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: 340
Temperature: 0.900000
Total energy: -220.456706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.456706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.456706 (E_RNA)
where:
Base-Base interactions energy: -161.902
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.001
local terms energy: -58.554267
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -6.782
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: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -220.770155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.770155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.770155 (E_RNA)
where:
Base-Base interactions energy: -156.189
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.578
local terms energy: -64.002802
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -210.757852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.757852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.902924 (E_RNA)
where:
Base-Base interactions energy: -144.245
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.309
local terms energy: -66.348262
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -230.134244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.134244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.232748 (E_RNA)
where:
Base-Base interactions energy: -169.626
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.003
local terms energy: -60.603378
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.099 (S_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: 340
Temperature: 1.100000
Total energy: -212.893004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.893004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.912173 (E_RNA)
where:
Base-Base interactions energy: -149.407
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.048
local terms energy: -63.457026
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.019 (S_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: 340
Temperature: 1.150000
Total energy: -201.667629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.667629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.940212 (E_RNA)
where:
Base-Base interactions energy: -146.415
where: short stacking energy: -58.913
Base-Backbone interact. energy: -0.081
local terms energy: -55.444517
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -203.900695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.900695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981894 (E_RNA)
where:
Base-Base interactions energy: -161.440
where: short stacking energy: -63.723
Base-Backbone interact. energy: -0.155
local terms energy: -42.387558
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -0.713
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.081 (S_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: 340
Temperature: 1.250000
Total energy: -175.163067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.163067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.594115 (E_RNA)
where:
Base-Base interactions energy: -132.455
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.177
local terms energy: -49.962351
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -8.324
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 7.431 (S_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: 340
Temperature: 1.300000
Total energy: -181.055213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.055213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.846669 (E_RNA)
where:
Base-Base interactions energy: -132.698
where: short stacking energy: -55.034
Base-Backbone interact. energy: -0.000
local terms energy: -56.149036
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -197.678621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.851239 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -56.499
Base-Backbone interact. energy: -1.232
local terms energy: -55.458194
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.173 (S_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: 341
Temperature: 0.900000
Total energy: -231.677950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.677950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.677950 (E_RNA)
where:
Base-Base interactions energy: -168.357
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.309
local terms energy: -63.011770
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -213.737953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.737953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.774299 (E_RNA)
where:
Base-Base interactions energy: -145.790
where: short stacking energy: -59.134
Base-Backbone interact. energy: 0.304
local terms energy: -68.288761
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -211.936890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.936890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.976272 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.001
local terms energy: -64.555924
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -213.151480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.151480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.213634 (E_RNA)
where:
Base-Base interactions energy: -148.014
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.001
local terms energy: -65.199223
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.062 (S_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: 341
Temperature: 1.100000
Total energy: -208.276631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.276631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.318927 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.057
local terms energy: -53.578836
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.042 (S_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: 341
Temperature: 1.150000
Total energy: -202.178443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.178443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.340162 (E_RNA)
where:
Base-Base interactions energy: -140.964
where: short stacking energy: -55.575
Base-Backbone interact. energy: -0.002
local terms energy: -61.373558
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.162 (S_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: 341
Temperature: 1.200000
Total energy: -210.979588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.054344 (E_RNA)
where:
Base-Base interactions energy: -146.302
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.867
local terms energy: -63.885199
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.075 (S_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: 341
Temperature: 1.250000
Total energy: -181.069472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.069472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.191012 (E_RNA)
where:
Base-Base interactions energy: -136.337
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.033
local terms energy: -51.821012
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 7.122 (S_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: 341
Temperature: 1.300000
Total energy: -180.100526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.100526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.733960 (E_RNA)
where:
Base-Base interactions energy: -129.842
where: short stacking energy: -53.880
Base-Backbone interact. energy: -0.256
local terms energy: -56.636323
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 6.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -189.943700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.943700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120111 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -55.204
Base-Backbone interact. energy: -0.106
local terms energy: -58.491762
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.176 (S_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: 342
Temperature: 0.900000
Total energy: -233.070348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.070348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.070348 (E_RNA)
where:
Base-Base interactions energy: -169.908
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.265
local terms energy: -62.897562
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -216.279876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.279876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.319169 (E_RNA)
where:
Base-Base interactions energy: -148.070
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.009
local terms energy: -68.239454
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.039 (S_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: 342
Temperature: 1.000000
Total energy: -206.962560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.962560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.273743 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -59.986
Base-Backbone interact. energy: -0.217
local terms energy: -66.937397
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.311 (S_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: 342
Temperature: 1.050000
Total energy: -213.159410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413101 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -60.746
Base-Backbone interact. energy: 0.510
local terms energy: -62.829025
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -206.401886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.401886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.451809 (E_RNA)
where:
Base-Base interactions energy: -151.032
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.018
local terms energy: -55.401213
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.050 (S_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: 342
Temperature: 1.150000
Total energy: -205.121379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.121379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140801 (E_RNA)
where:
Base-Base interactions energy: -141.959
where: short stacking energy: -56.580
Base-Backbone interact. energy: -0.005
local terms energy: -63.176593
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.019 (S_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: 342
Temperature: 1.200000
Total energy: -191.086371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.086371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.278249 (E_RNA)
where:
Base-Base interactions energy: -138.036
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.003
local terms energy: -61.239998
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 8.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -202.127855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.162271 (E_RNA)
where:
Base-Base interactions energy: -143.411
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.002
local terms energy: -58.749958
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -187.949600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.949600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.984337 (E_RNA)
where:
Base-Base interactions energy: -130.796
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.004
local terms energy: -57.183918
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.035 (S_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: 342
Temperature: 1.350000
Total energy: -171.361710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.361710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.364175 (E_RNA)
where:
Base-Base interactions energy: -122.758
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.184
local terms energy: -55.422177
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 7.002 (S_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: 343
Temperature: 0.900000
Total energy: -233.563412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.563412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.608220 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.072
local terms energy: -63.212555
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.045 (S_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: 343
Temperature: 0.950000
Total energy: -219.799867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799867 (E_RNA)
where:
Base-Base interactions energy: -153.270
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.001
local terms energy: -66.529305
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -208.409916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.409916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.409916 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.737
local terms energy: -60.127664
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.798
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -212.436987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.436987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.487996 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.009
local terms energy: -65.282635
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.051 (S_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: -209.676994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.777365 (E_RNA)
where:
Base-Base interactions energy: -148.975
where: short stacking energy: -63.211
Base-Backbone interact. energy: -0.001
local terms energy: -60.801318
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.100 (S_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: 343
Temperature: 1.150000
Total energy: -204.609448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.609448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676617 (E_RNA)
where:
Base-Base interactions energy: -149.665
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.156
local terms energy: -54.854992
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.067 (S_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: 343
Temperature: 1.200000
Total energy: -185.882515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.882515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.843121 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -56.380
Base-Backbone interact. energy: -0.369
local terms energy: -57.088767
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 7.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -193.410352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.410352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.516030 (E_RNA)
where:
Base-Base interactions energy: -134.863
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.281
local terms energy: -58.372293
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -198.269312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.269312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.305641 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.060
local terms energy: -58.850515
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -7.963
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.036 (S_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: 343
Temperature: 1.350000
Total energy: -186.495631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.495631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.795923 (E_RNA)
where:
Base-Base interactions energy: -138.265
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.406
local terms energy: -54.125349
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 6.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -229.758968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.758968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.787967 (E_RNA)
where:
Base-Base interactions energy: -167.717
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.007
local terms energy: -62.063991
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.029 (S_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: 344
Temperature: 0.950000
Total energy: -221.791993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.791993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.935886 (E_RNA)
where:
Base-Base interactions energy: -164.235
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.001
local terms energy: -57.699342
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.144 (S_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: 344
Temperature: 1.000000
Total energy: -209.855673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.883916 (E_RNA)
where:
Base-Base interactions energy: -146.375
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.452
local terms energy: -63.056600
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -214.160574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.160574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.167182 (E_RNA)
where:
Base-Base interactions energy: -158.315
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.083
local terms energy: -55.769886
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.007 (S_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: 344
Temperature: 1.100000
Total energy: -209.724351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.724351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.869018 (E_RNA)
where:
Base-Base interactions energy: -154.627
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.001
local terms energy: -55.240662
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.145 (S_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: -198.448170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.448170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.472261 (E_RNA)
where:
Base-Base interactions energy: -143.113
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.006
local terms energy: -55.353671
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -0.575
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -197.054979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.054979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.155978 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.078
local terms energy: -61.216960
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.101 (S_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: 344
Temperature: 1.250000
Total energy: -176.330262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.330262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366760 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.123
local terms energy: -62.379083
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 7.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -176.149863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.149863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.979134 (E_RNA)
where:
Base-Base interactions energy: -129.199
where: short stacking energy: -56.602
Base-Backbone interact. energy: 2.294
local terms energy: -57.073458
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 7.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -195.164360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.164360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.408780 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.169
local terms energy: -58.454403
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -230.230889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.230889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.258944 (E_RNA)
where:
Base-Base interactions energy: -164.051
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.086
local terms energy: -66.121783
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.028 (S_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: 345
Temperature: 0.950000
Total energy: -226.546820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.546820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.665501 (E_RNA)
where:
Base-Base interactions energy: -160.930
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.029
local terms energy: -65.706560
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.119 (S_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: 345
Temperature: 1.000000
Total energy: -207.493411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.493411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.603594 (E_RNA)
where:
Base-Base interactions energy: -138.913
where: short stacking energy: -54.619
Base-Backbone interact. energy: -0.281
local terms energy: -68.409417
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -208.684455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.828142 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.181
local terms energy: -61.451620
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.144 (S_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: 345
Temperature: 1.100000
Total energy: -199.667279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.667279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.776463 (E_RNA)
where:
Base-Base interactions energy: -138.096
where: short stacking energy: -55.453
Base-Backbone interact. energy: -0.095
local terms energy: -61.585907
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.109 (S_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: 345
Temperature: 1.150000
Total energy: -206.794376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.794376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.961842 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.241
local terms energy: -65.740036
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.167 (S_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: 345
Temperature: 1.200000
Total energy: -202.668824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.668824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.708439 (E_RNA)
where:
Base-Base interactions energy: -139.266
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.035
local terms energy: -63.407381
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.040 (S_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: 345
Temperature: 1.250000
Total energy: -179.627445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.627445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.488021 (E_RNA)
where:
Base-Base interactions energy: -133.292
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.048
local terms energy: -55.147625
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 8.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -176.940809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.940809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.673427 (E_RNA)
where:
Base-Base interactions energy: -126.858
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.264
local terms energy: -56.551244
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 6.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -195.458080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.458080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.683044 (E_RNA)
where:
Base-Base interactions energy: -141.304
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.025
local terms energy: -54.354548
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -228.699887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.699887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.790824 (E_RNA)
where:
Base-Base interactions energy: -161.443
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.041
local terms energy: -67.307282
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -214.529427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.529427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.529427 (E_RNA)
where:
Base-Base interactions energy: -147.765
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.072
local terms energy: -66.692698
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.512
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: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -220.819732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.819732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.894676 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.001
local terms energy: -65.962824
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.075 (S_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: 346
Temperature: 1.050000
Total energy: -204.038251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.038251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.062052 (E_RNA)
where:
Base-Base interactions energy: -141.313
where: short stacking energy: -58.838
Base-Backbone interact. energy: -0.098
local terms energy: -62.650394
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.024 (S_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: 346
Temperature: 1.100000
Total energy: -209.751825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.751825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.798819 (E_RNA)
where:
Base-Base interactions energy: -144.098
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.001
local terms energy: -65.699608
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -216.062577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.062577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.087783 (E_RNA)
where:
Base-Base interactions energy: -156.634
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.012
local terms energy: -59.441369
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.025 (S_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: 346
Temperature: 1.200000
Total energy: -185.418983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.418983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.627773 (E_RNA)
where:
Base-Base interactions energy: -134.685
where: short stacking energy: -55.987
Base-Backbone interact. energy: -0.240
local terms energy: -59.702770
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 9.209 (S_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: 346
Temperature: 1.250000
Total energy: -200.246555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.246555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.286729 (E_RNA)
where:
Base-Base interactions energy: -142.690
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.004
local terms energy: -57.592738
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -190.817437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.817437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.817437 (E_RNA)
where:
Base-Base interactions energy: -134.659
where: short stacking energy: -52.844
Base-Backbone interact. energy: -0.285
local terms energy: -55.873910
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -14.268
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: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -176.898713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.898713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.759524 (E_RNA)
where:
Base-Base interactions energy: -136.249
where: short stacking energy: -52.445
Base-Backbone interact. energy: -0.836
local terms energy: -47.674683
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 7.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -223.437829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.437829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.512401 (E_RNA)
where:
Base-Base interactions energy: -161.458
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.001
local terms energy: -62.053707
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.075 (S_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: 347
Temperature: 0.950000
Total energy: -220.679702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.679702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.708654 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -65.838
Base-Backbone interact. energy: -0.003
local terms energy: -67.422720
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -212.336025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.459893 (E_RNA)
where:
Base-Base interactions energy: -158.398
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.290
local terms energy: -53.771977
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.124 (S_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: 347
Temperature: 1.050000
Total energy: -203.000948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.000948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.163486 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.284
local terms energy: -63.608058
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.163 (S_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: 347
Temperature: 1.100000
Total energy: -203.597330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.597330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.691250 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -55.079
Base-Backbone interact. energy: 1.017
local terms energy: -61.934315
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.094 (S_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: 347
Temperature: 1.150000
Total energy: -187.902027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.902027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.589339 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -62.231
Base-Backbone interact. energy: -0.579
local terms energy: -56.195214
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 8.687 (S_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: 347
Temperature: 1.200000
Total energy: -205.522067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.522067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.573458 (E_RNA)
where:
Base-Base interactions energy: -152.192
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.045
local terms energy: -53.336980
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. 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: -214.416107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.416107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.435735 (E_RNA)
where:
Base-Base interactions energy: -153.063
where: short stacking energy: -56.062
Base-Backbone interact. energy: -0.534
local terms energy: -60.839054
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.020 (S_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: 347
Temperature: 1.300000
Total energy: -202.151633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.151633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.290489 (E_RNA)
where:
Base-Base interactions energy: -134.781
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.283
local terms energy: -67.226364
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -173.865570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.865570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.635715 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -48.995
Base-Backbone interact. energy: -0.104
local terms energy: -52.394691
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -7.181
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 7.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -220.489335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.489335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.545831 (E_RNA)
where:
Base-Base interactions energy: -150.746
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.014
local terms energy: -69.786060
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.056 (S_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: -227.792879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.792879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.801817 (E_RNA)
where:
Base-Base interactions energy: -168.820
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.034
local terms energy: -58.947740
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.009 (S_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: 348
Temperature: 1.000000
Total energy: -206.307339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.307339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.504122 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.155
local terms energy: -60.798306
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.197 (S_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: -206.604413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.604413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630775 (E_RNA)
where:
Base-Base interactions energy: -142.697
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.239
local terms energy: -63.695208
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.026 (S_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: 348
Temperature: 1.100000
Total energy: -210.588188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.588188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.632971 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.047
local terms energy: -62.308920
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.045 (S_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: 348
Temperature: 1.150000
Total energy: -191.848910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.848910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.939258 (E_RNA)
where:
Base-Base interactions energy: -131.593
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.004
local terms energy: -67.342199
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 7.090 (S_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: -201.697904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.697904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.736699 (E_RNA)
where:
Base-Base interactions energy: -148.848
where: short stacking energy: -54.839
Base-Backbone interact. energy: -0.028
local terms energy: -52.860989
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.039 (S_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: 348
Temperature: 1.250000
Total energy: -199.948646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.948646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.983518 (E_RNA)
where:
Base-Base interactions energy: -144.479
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.024
local terms energy: -55.480889
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.035 (S_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: 348
Temperature: 1.300000
Total energy: -194.803795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.803795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.837439 (E_RNA)
where:
Base-Base interactions energy: -145.087
where: short stacking energy: -55.675
Base-Backbone interact. energy: 1.376
local terms energy: -51.126710
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -2.318
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.034 (S_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: 348
Temperature: 1.350000
Total energy: -180.585556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.585556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.562615 (E_RNA)
where:
Base-Base interactions energy: -125.883
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.714
local terms energy: -61.966121
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 7.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -230.625475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.625475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.934682 (E_RNA)
where:
Base-Base interactions energy: -160.928
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.003
local terms energy: -70.002992
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -219.231263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.231263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.256145 (E_RNA)
where:
Base-Base interactions energy: -160.967
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.160
local terms energy: -58.128523
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.025 (S_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: 349
Temperature: 1.000000
Total energy: -215.407892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.407892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.546141 (E_RNA)
where:
Base-Base interactions energy: -153.329
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.743
local terms energy: -61.474014
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.138 (S_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: 349
Temperature: 1.050000
Total energy: -210.388747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.388747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.531298 (E_RNA)
where:
Base-Base interactions energy: -152.301
where: short stacking energy: -58.297
Base-Backbone interact. energy: -0.001
local terms energy: -58.230138
where:
bonds (distance) C4'-P energy: -6.941
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -201.667495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.667495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.695238 (E_RNA)
where:
Base-Base interactions energy: -146.343
where: short stacking energy: -51.804
Base-Backbone interact. energy: -0.022
local terms energy: -55.331186
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -210.267038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.267038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.482429 (E_RNA)
where:
Base-Base interactions energy: -150.345
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.002
local terms energy: -60.135373
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.215 (S_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: 349
Temperature: 1.200000
Total energy: -181.819283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.819283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.809568 (E_RNA)
where:
Base-Base interactions energy: -133.464
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.456
local terms energy: -57.889632
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 9.990 (S_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: 349
Temperature: 1.250000
Total energy: -198.749213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.749213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.890634 (E_RNA)
where:
Base-Base interactions energy: -138.651
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.008
local terms energy: -60.231779
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.141 (S_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: 349
Temperature: 1.300000
Total energy: -198.805452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.805452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.883216 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -56.626
Base-Backbone interact. energy: 1.077
local terms energy: -59.738663
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.078 (S_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: 349
Temperature: 1.350000
Total energy: -176.802184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.802184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.472313 (E_RNA)
where:
Base-Base interactions energy: -130.325
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.008
local terms energy: -54.139293
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 7.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -222.712532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.712532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.712532 (E_RNA)
where:
Base-Base interactions energy: -162.599
where: short stacking energy: -65.399
Base-Backbone interact. energy: -0.007
local terms energy: -60.107016
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -223.820094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.820094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.908580 (E_RNA)
where:
Base-Base interactions energy: -160.109
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.232
local terms energy: -63.567229
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -209.731200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.731200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.796501 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.000
local terms energy: -58.294506
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.065 (S_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: 350
Temperature: 1.050000
Total energy: -217.005969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.005969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.106566 (E_RNA)
where:
Base-Base interactions energy: -149.262
where: short stacking energy: -62.002
Base-Backbone interact. energy: -0.000
local terms energy: -67.843879
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.101 (S_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: 350
Temperature: 1.100000
Total energy: -213.972256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.972256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.021813 (E_RNA)
where:
Base-Base interactions energy: -148.136
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.003
local terms energy: -65.882487
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.050 (S_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: 350
Temperature: 1.150000
Total energy: -211.367802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.367802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.483399 (E_RNA)
where:
Base-Base interactions energy: -151.891
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.001
local terms energy: -59.592080
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.116 (S_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: 350
Temperature: 1.200000
Total energy: -198.410087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.410087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.571604 (E_RNA)
where:
Base-Base interactions energy: -145.994
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.002
local terms energy: -52.575308
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.162 (S_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: 350
Temperature: 1.250000
Total energy: -175.275398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.275398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.987698 (E_RNA)
where:
Base-Base interactions energy: -121.869
where: short stacking energy: -50.694
Base-Backbone interact. energy: -1.875
local terms energy: -58.243163
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -5.782
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 6.712 (S_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: 350
Temperature: 1.300000
Total energy: -202.308297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.308297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.538277 (E_RNA)
where:
Base-Base interactions energy: -139.376
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.004
local terms energy: -63.158210
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.230 (S_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: 350
Temperature: 1.350000
Total energy: -180.143868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.143868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.151009 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -57.590
Base-Backbone interact. energy: -0.261
local terms energy: -52.153942
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 8.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -221.580005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.580005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.622023 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.001
local terms energy: -68.212344
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.042 (S_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: 351
Temperature: 0.950000
Total energy: -220.622504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.622504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.653075 (E_RNA)
where:
Base-Base interactions energy: -161.090
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.000
local terms energy: -59.562439
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -210.046672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.046672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.257461 (E_RNA)
where:
Base-Base interactions energy: -147.402
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.086
local terms energy: -62.770147
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.211 (S_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: 351
Temperature: 1.050000
Total energy: -207.154168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.154168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.263004 (E_RNA)
where:
Base-Base interactions energy: -147.102
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.007
local terms energy: -60.153522
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.109 (S_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: 351
Temperature: 1.100000
Total energy: -220.801032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.801032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.910313 (E_RNA)
where:
Base-Base interactions energy: -163.276
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.028
local terms energy: -57.606350
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.109 (S_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: -207.180481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.180481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189090 (E_RNA)
where:
Base-Base interactions energy: -146.759
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.123
local terms energy: -60.307252
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.009 (S_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: 351
Temperature: 1.200000
Total energy: -201.054485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.054485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.054485 (E_RNA)
where:
Base-Base interactions energy: -145.991
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.881
local terms energy: -54.182988
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -203.931349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.931349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.985266 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -55.679
Base-Backbone interact. energy: -0.005
local terms energy: -57.867317
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -178.268854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.268854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.597002 (E_RNA)
where:
Base-Base interactions energy: -123.276
where: short stacking energy: -53.329
Base-Backbone interact. energy: -0.157
local terms energy: -62.164284
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 7.328 (S_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: 351
Temperature: 1.350000
Total energy: -168.631663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.631663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.044179 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -53.528
Base-Backbone interact. energy: 0.575
local terms energy: -45.111240
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -6.469
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 6.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -232.818307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.818307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.856412 (E_RNA)
where:
Base-Base interactions energy: -168.015
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.004
local terms energy: -64.836910
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.038 (S_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: 352
Temperature: 0.950000
Total energy: -218.190485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.190485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281876 (E_RNA)
where:
Base-Base interactions energy: -152.205
where: short stacking energy: -65.757
Base-Backbone interact. energy: -0.323
local terms energy: -65.753367
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.091 (S_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: 352
Temperature: 1.000000
Total energy: -215.461316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.461316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.499010 (E_RNA)
where:
Base-Base interactions energy: -154.580
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.003
local terms energy: -60.916646
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.038 (S_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: 352
Temperature: 1.050000
Total energy: -220.580981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.580981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.603332 (E_RNA)
where:
Base-Base interactions energy: -156.076
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.003
local terms energy: -64.524754
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.022 (S_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: 352
Temperature: 1.100000
Total energy: -209.844668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.844668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.881070 (E_RNA)
where:
Base-Base interactions energy: -158.567
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.042
local terms energy: -51.272430
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -208.582072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.582072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635619 (E_RNA)
where:
Base-Base interactions energy: -153.268
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.231
local terms energy: -55.136943
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -203.433688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.433688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.668118 (E_RNA)
where:
Base-Base interactions energy: -138.399
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.001
local terms energy: -65.268812
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.234 (S_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: 352
Temperature: 1.250000
Total energy: -202.258473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.258473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.377065 (E_RNA)
where:
Base-Base interactions energy: -140.342
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.071
local terms energy: -61.963990
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.119 (S_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: 352
Temperature: 1.300000
Total energy: -168.307204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.983002 (E_RNA)
where:
Base-Base interactions energy: -123.110
where: short stacking energy: -49.838
Base-Backbone interact. energy: -0.120
local terms energy: -52.752247
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 7.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -176.446144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.446144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.858581 (E_RNA)
where:
Base-Base interactions energy: -123.697
where: short stacking energy: -52.049
Base-Backbone interact. energy: 1.395
local terms energy: -61.556727
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 7.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -231.815284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.815284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.895911 (E_RNA)
where:
Base-Base interactions energy: -164.069
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.162
local terms energy: -67.664849
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -225.929827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.929827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.997311 (E_RNA)
where:
Base-Base interactions energy: -158.918
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.001
local terms energy: -67.078516
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -214.989428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.989428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.016175 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.043
local terms energy: -69.483799
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.027 (S_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: 353
Temperature: 1.050000
Total energy: -214.944518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.944518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993379 (E_RNA)
where:
Base-Base interactions energy: -158.320
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.005
local terms energy: -56.668538
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.049 (S_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: 353
Temperature: 1.100000
Total energy: -212.837121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.837121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.993873 (E_RNA)
where:
Base-Base interactions energy: -150.348
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.001
local terms energy: -62.644028
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -204.394329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.394329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538761 (E_RNA)
where:
Base-Base interactions energy: -144.311
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.004
local terms energy: -60.224058
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -203.257322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.257322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357222 (E_RNA)
where:
Base-Base interactions energy: -134.187
where: short stacking energy: -53.524
Base-Backbone interact. energy: -0.003
local terms energy: -69.167512
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.100 (S_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: 353
Temperature: 1.250000
Total energy: -199.503073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.503073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.645044 (E_RNA)
where:
Base-Base interactions energy: -145.271
where: short stacking energy: -57.676
Base-Backbone interact. energy: -0.008
local terms energy: -54.365637
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.142 (S_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: 353
Temperature: 1.300000
Total energy: -180.315112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.315112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.670079 (E_RNA)
where:
Base-Base interactions energy: -138.421
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.002
local terms energy: -49.247844
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -4.508
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 7.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -172.304831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.304831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.537474 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.955
local terms energy: -59.955497
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 8.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -220.824162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.824162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.824162 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -64.876
Base-Backbone interact. energy: -0.002
local terms energy: -70.577327
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -16.848
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: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -220.836864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.836864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.855492 (E_RNA)
where:
Base-Base interactions energy: -157.904
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.170
local terms energy: -62.781324
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -220.085513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.085513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.132297 (E_RNA)
where:
Base-Base interactions energy: -152.702
where: short stacking energy: -61.196
Base-Backbone interact. energy: -0.020
local terms energy: -67.409906
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -209.363565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.363565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.372993 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.140
local terms energy: -60.651743
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.009 (S_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: 354
Temperature: 1.100000
Total energy: -202.421012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.421012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.478720 (E_RNA)
where:
Base-Base interactions energy: -142.324
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.015
local terms energy: -60.139855
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.058 (S_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: 354
Temperature: 1.150000
Total energy: -202.330659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.330659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.508117 (E_RNA)
where:
Base-Base interactions energy: -135.909
where: short stacking energy: -51.671
Base-Backbone interact. energy: 0.699
local terms energy: -67.298222
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.177 (S_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: 354
Temperature: 1.200000
Total energy: -203.353878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.628607 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.157
local terms energy: -62.373474
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -203.505885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.533993 (E_RNA)
where:
Base-Base interactions energy: -140.233
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.047
local terms energy: -63.254196
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -175.277781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.277781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.860583 (E_RNA)
where:
Base-Base interactions energy: -127.097
where: short stacking energy: -47.715
Base-Backbone interact. energy: -0.532
local terms energy: -55.231660
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 7.583 (S_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: 354
Temperature: 1.350000
Total energy: -173.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.183151 (E_RNA)
where:
Base-Base interactions energy: -123.250
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.164
local terms energy: -57.768606
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 8.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -224.060223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.060223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.133265 (E_RNA)
where:
Base-Base interactions energy: -156.039
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.239
local terms energy: -67.855423
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.073 (S_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: 355
Temperature: 0.950000
Total energy: -219.164059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.164059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.164059 (E_RNA)
where:
Base-Base interactions energy: -152.235
where: short stacking energy: -69.726
Base-Backbone interact. energy: -0.001
local terms energy: -66.928373
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -9.531
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: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -211.314668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.314668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.363674 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.000
local terms energy: -65.295704
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.049 (S_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: 355
Temperature: 1.050000
Total energy: -214.028835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028835 (E_RNA)
where:
Base-Base interactions energy: -155.172
where: short stacking energy: -60.381
Base-Backbone interact. energy: -0.065
local terms energy: -58.791529
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -203.969367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.969367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.367376 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.006
local terms energy: -64.463726
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.398 (S_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: 355
Temperature: 1.150000
Total energy: -206.156931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.156931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.302895 (E_RNA)
where:
Base-Base interactions energy: -144.855
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.005
local terms energy: -61.443605
where:
bonds (distance) C4'-P energy: -7.876
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -200.865260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.865260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.903919 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.042
local terms energy: -62.740592
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.039 (S_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: 355
Temperature: 1.250000
Total energy: -198.146727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.146727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.059891 (E_RNA)
where:
Base-Base interactions energy: -140.449
where: short stacking energy: -58.909
Base-Backbone interact. energy: -0.027
local terms energy: -66.583698
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 8.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -195.017202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.017202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.219143 (E_RNA)
where:
Base-Base interactions energy: -135.743
where: short stacking energy: -50.866
Base-Backbone interact. energy: -0.223
local terms energy: -59.253280
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.202 (S_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: 355
Temperature: 1.350000
Total energy: -174.281949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.079395 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -50.741
Base-Backbone interact. energy: -0.284
local terms energy: -54.473247
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 6.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -224.678220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.678220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.678220 (E_RNA)
where:
Base-Base interactions energy: -156.497
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.000
local terms energy: -68.180539
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -223.068021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.068021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.138667 (E_RNA)
where:
Base-Base interactions energy: -162.869
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.009
local terms energy: -60.260785
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.071 (S_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: 356
Temperature: 1.000000
Total energy: -219.871851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.871851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874317 (E_RNA)
where:
Base-Base interactions energy: -165.491
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.004
local terms energy: -54.379438
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -8.437
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -208.316420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.334469 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.412
local terms energy: -62.138781
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -212.923655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.923655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.998884 (E_RNA)
where:
Base-Base interactions energy: -140.963
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.015
local terms energy: -72.021555
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -207.363519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.363519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.438785 (E_RNA)
where:
Base-Base interactions energy: -144.008
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.007
local terms energy: -63.424273
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -201.577009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.577009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.577009 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.116
local terms energy: -60.910498
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -178.865629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.865629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.036662 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.061
local terms energy: -56.619213
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 8.171 (S_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: -192.651268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.651268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.669017 (E_RNA)
where:
Base-Base interactions energy: -135.319
where: short stacking energy: -49.735
Base-Backbone interact. energy: -0.081
local terms energy: -57.268935
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.018 (S_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: 356
Temperature: 1.350000
Total energy: -165.965038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.965038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.141158 (E_RNA)
where:
Base-Base interactions energy: -117.362
where: short stacking energy: -48.990
Base-Backbone interact. energy: 0.805
local terms energy: -55.584371
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 6.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -239.701724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.701724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.701724 (E_RNA)
where:
Base-Base interactions energy: -174.396
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.217
local terms energy: -65.088410
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -216.790560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.790560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.813948 (E_RNA)
where:
Base-Base interactions energy: -154.005
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.009
local terms energy: -62.799336
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.023 (S_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: 357
Temperature: 1.000000
Total energy: -226.800078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.800078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.898521 (E_RNA)
where:
Base-Base interactions energy: -164.691
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.089
local terms energy: -62.118294
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.098 (S_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: 357
Temperature: 1.050000
Total energy: -212.228514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.228514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.269562 (E_RNA)
where:
Base-Base interactions energy: -147.755
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.000
local terms energy: -64.514242
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.041 (S_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: 357
Temperature: 1.100000
Total energy: -209.870973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874773 (E_RNA)
where:
Base-Base interactions energy: -160.023
where: short stacking energy: -65.179
Base-Backbone interact. energy: -0.002
local terms energy: -49.849565
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -205.439601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.439601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.596223 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.238
local terms energy: -64.142242
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -205.043974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.043974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.043974 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.001
local terms energy: -64.334354
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -10.258
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: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -201.894205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963425 (E_RNA)
where:
Base-Base interactions energy: -140.266
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.011
local terms energy: -61.686473
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.069 (S_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: 357
Temperature: 1.300000
Total energy: -186.894119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.894119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.726090 (E_RNA)
where:
Base-Base interactions energy: -135.879
where: short stacking energy: -53.713
Base-Backbone interact. energy: -1.380
local terms energy: -57.467375
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -8.485
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 7.832 (S_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: 357
Temperature: 1.350000
Total energy: -174.447116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.447116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.265230 (E_RNA)
where:
Base-Base interactions energy: -126.385
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.662
local terms energy: -56.218160
where:
bonds (distance) C4'-P energy: -5.574
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 8.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -214.921817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.921817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.971491 (E_RNA)
where:
Base-Base interactions energy: -149.470
where: short stacking energy: -63.826
Base-Backbone interact. energy: -0.002
local terms energy: -65.499605
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: 0.050 (S_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: -229.438736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.438736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.465738 (E_RNA)
where:
Base-Base interactions energy: -167.938
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.057
local terms energy: -61.471439
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.027 (S_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: 358
Temperature: 1.000000
Total energy: -224.265563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.275735 (E_RNA)
where:
Base-Base interactions energy: -170.123
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.514
local terms energy: -53.638728
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -5.006
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.010 (S_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: 358
Temperature: 1.050000
Total energy: -215.447348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.447348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.618166 (E_RNA)
where:
Base-Base interactions energy: -149.203
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.170
local terms energy: -66.245201
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.171 (S_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: 358
Temperature: 1.100000
Total energy: -209.146668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.146668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.204553 (E_RNA)
where:
Base-Base interactions energy: -146.514
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.007
local terms energy: -62.684385
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.058 (S_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: 358
Temperature: 1.150000
Total energy: -204.538668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.551672 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -56.921
Base-Backbone interact. energy: -0.001
local terms energy: -59.415696
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. 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: -199.414489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.414489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.505743 (E_RNA)
where:
Base-Base interactions energy: -145.033
where: short stacking energy: -56.694
Base-Backbone interact. energy: -0.830
local terms energy: -53.643065
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -196.998174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.998174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.081561 (E_RNA)
where:
Base-Base interactions energy: -137.204
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.005
local terms energy: -59.872171
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -174.516858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.516858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675808 (E_RNA)
where:
Base-Base interactions energy: -120.141
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.812
local terms energy: -60.723454
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 7.159 (S_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: 358
Temperature: 1.350000
Total energy: -186.407981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.407981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585361 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -53.222
Base-Backbone interact. energy: -0.479
local terms energy: -61.552258
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 7.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -235.034002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.035216 (E_RNA)
where:
Base-Base interactions energy: -170.532
where: short stacking energy: -72.533
Base-Backbone interact. energy: -0.227
local terms energy: -64.276126
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.001 (S_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: -235.289018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.289018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.317662 (E_RNA)
where:
Base-Base interactions energy: -171.634
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.003
local terms energy: -63.680051
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.029 (S_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: 359
Temperature: 1.000000
Total energy: -214.549225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.549225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.549225 (E_RNA)
where:
Base-Base interactions energy: -152.912
where: short stacking energy: -63.544
Base-Backbone interact. energy: 0.618
local terms energy: -62.255747
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -15.882
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: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -214.430162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.430162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.567834 (E_RNA)
where:
Base-Base interactions energy: -156.975
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.036
local terms energy: -57.556815
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -203.460103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.460103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.528280 (E_RNA)
where:
Base-Base interactions energy: -143.229
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.193
local terms energy: -60.106562
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. 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: -203.523558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.523558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.633310 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.156
local terms energy: -64.886508
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.110 (S_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: 359
Temperature: 1.200000
Total energy: -200.392384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392384 (E_RNA)
where:
Base-Base interactions energy: -142.988
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.002
local terms energy: -57.402408
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: -13.806
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: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -199.148105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.148105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.270706 (E_RNA)
where:
Base-Base interactions energy: -148.239
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.001
local terms energy: -51.030533
where:
bonds (distance) C4'-P energy: -3.723
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.123 (S_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: 359
Temperature: 1.300000
Total energy: -178.607692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.607692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.464618 (E_RNA)
where:
Base-Base interactions energy: -125.910
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.249
local terms energy: -61.305186
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 8.857 (S_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: 359
Temperature: 1.350000
Total energy: -171.620152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.620152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.622076 (E_RNA)
where:
Base-Base interactions energy: -120.066
where: short stacking energy: -47.168
Base-Backbone interact. energy: -0.149
local terms energy: -58.407187
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 7.002 (S_DIST_RNA)
chem. 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: -234.886836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.886836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.886836 (E_RNA)
where:
Base-Base interactions energy: -173.974
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.035
local terms energy: -60.877610
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -229.878198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.878198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.891368 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.048
local terms energy: -63.644692
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -218.779527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.779527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.838491 (E_RNA)
where:
Base-Base interactions energy: -154.273
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.000
local terms energy: -64.565145
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.059 (S_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: 360
Temperature: 1.050000
Total energy: -213.196109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.196109 (E_RNA)
where:
Base-Base interactions energy: -151.192
where: short stacking energy: -59.244
Base-Backbone interact. energy: 0.575
local terms energy: -62.578833
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.433
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: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -207.738865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.738865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.820579 (E_RNA)
where:
Base-Base interactions energy: -144.963
where: short stacking energy: -53.401
Base-Backbone interact. energy: -0.052
local terms energy: -62.805002
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. 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: -205.439436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.439436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.523447 (E_RNA)
where:
Base-Base interactions energy: -152.069
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.148
local terms energy: -53.306285
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -210.407236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.407236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.432233 (E_RNA)
where:
Base-Base interactions energy: -145.256
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.001
local terms energy: -65.175349
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -200.774719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.852902 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -53.720
Base-Backbone interact. energy: -0.013
local terms energy: -59.783987
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.078 (S_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: 360
Temperature: 1.300000
Total energy: -187.513943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.513943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.091376 (E_RNA)
where:
Base-Base interactions energy: -138.903
where: short stacking energy: -63.468
Base-Backbone interact. energy: 1.322
local terms energy: -57.510194
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 7.577 (S_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: 360
Temperature: 1.350000
Total energy: -163.830994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.830994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.537933 (E_RNA)
where:
Base-Base interactions energy: -122.339
where: short stacking energy: -41.106
Base-Backbone interact. energy: -0.323
local terms energy: -48.875668
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 7.707 (S_DIST_RNA)
chem. 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: -234.538859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.538859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.538859 (E_RNA)
where:
Base-Base interactions energy: -169.875
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.735
local terms energy: -63.929058
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -217.964295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.964295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.982626 (E_RNA)
where:
Base-Base interactions energy: -156.313
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.427
local terms energy: -61.242774
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -214.444994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.444994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.567200 (E_RNA)
where:
Base-Base interactions energy: -157.693
where: short stacking energy: -60.458
Base-Backbone interact. energy: -0.284
local terms energy: -56.589968
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.122 (S_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: 361
Temperature: 1.050000
Total energy: -216.897674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.897674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.950430 (E_RNA)
where:
Base-Base interactions energy: -149.888
where: short stacking energy: -62.951
Base-Backbone interact. energy: -0.001
local terms energy: -67.061507
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -218.172973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.172973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185842 (E_RNA)
where:
Base-Base interactions energy: -162.796
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.004
local terms energy: -55.385706
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -200.862239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.862239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.920523 (E_RNA)
where:
Base-Base interactions energy: -141.556
where: short stacking energy: -54.660
Base-Backbone interact. energy: -2.348
local terms energy: -57.016631
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. 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: -200.006645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.006645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.118285 (E_RNA)
where:
Base-Base interactions energy: -136.582
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.096
local terms energy: -63.440721
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.112 (S_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: 361
Temperature: 1.250000
Total energy: -186.512266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.512266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.266893 (E_RNA)
where:
Base-Base interactions energy: -127.814
where: short stacking energy: -55.777
Base-Backbone interact. energy: -0.012
local terms energy: -66.441522
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 7.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -194.588478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.588478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.588478 (E_RNA)
where:
Base-Base interactions energy: -131.063
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.040
local terms energy: -63.486110
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -169.812590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.812590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.841373 (E_RNA)
where:
Base-Base interactions energy: -123.623
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.630
local terms energy: -54.588253
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 9.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -242.277338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.277338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.327255 (E_RNA)
where:
Base-Base interactions energy: -176.122
where: short stacking energy: -72.688
Base-Backbone interact. energy: -0.030
local terms energy: -66.174838
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -213.536806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536806 (E_RNA)
where:
Base-Base interactions energy: -150.973
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.074
local terms energy: -62.489107
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -218.977769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.016651 (E_RNA)
where:
Base-Base interactions energy: -150.229
where: short stacking energy: -65.635
Base-Backbone interact. energy: 0.169
local terms energy: -68.957167
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -213.347483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.347483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.412760 (E_RNA)
where:
Base-Base interactions energy: -155.517
where: short stacking energy: -60.983
Base-Backbone interact. energy: 0.126
local terms energy: -58.021384
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -210.645210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.645210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718668 (E_RNA)
where:
Base-Base interactions energy: -146.364
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.170
local terms energy: -64.184137
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -208.713988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.713988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.802287 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.414
local terms energy: -54.670910
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -193.825315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.825315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.617801 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.168
local terms energy: -59.565694
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 7.792 (S_DIST_RNA)
chem. 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: -201.667332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.667332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.687578 (E_RNA)
where:
Base-Base interactions energy: -149.901
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.003
local terms energy: -51.782742
where:
bonds (distance) C4'-P energy: -7.295
bonds (distance) P-C4' energy: -8.309
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.020 (S_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: 362
Temperature: 1.300000
Total energy: -173.411588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.411588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.154901 (E_RNA)
where:
Base-Base interactions energy: -125.849
where: short stacking energy: -51.909
Base-Backbone interact. energy: -0.151
local terms energy: -55.155585
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 7.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -200.247568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.247568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.441906 (E_RNA)
where:
Base-Base interactions energy: -148.815
where: short stacking energy: -62.525
Base-Backbone interact. energy: -0.218
local terms energy: -51.408630
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -236.124646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.124646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.245823 (E_RNA)
where:
Base-Base interactions energy: -172.007
where: short stacking energy: -70.404
Base-Backbone interact. energy: -0.485
local terms energy: -63.753534
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -216.722596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.722596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.791747 (E_RNA)
where:
Base-Base interactions energy: -148.681
where: short stacking energy: -62.396
Base-Backbone interact. energy: -0.039
local terms energy: -68.071948
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.069 (S_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: 363
Temperature: 1.000000
Total energy: -219.987121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.987121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.038867 (E_RNA)
where:
Base-Base interactions energy: -153.678
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.329
local terms energy: -66.032640
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -213.786867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.786867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.830246 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.099
local terms energy: -65.774287
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.043 (S_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: 363
Temperature: 1.100000
Total energy: -210.152757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.259559 (E_RNA)
where:
Base-Base interactions energy: -151.086
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.580
local terms energy: -58.593408
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.107 (S_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: 363
Temperature: 1.150000
Total energy: -200.482023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.482023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.692305 (E_RNA)
where:
Base-Base interactions energy: -141.735
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.000
local terms energy: -58.956848
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -195.940906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.940906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.210663 (E_RNA)
where:
Base-Base interactions energy: -136.372
where: short stacking energy: -56.589
Base-Backbone interact. energy: -1.314
local terms energy: -65.524224
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 7.270 (S_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: 363
Temperature: 1.250000
Total energy: -181.172267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.172267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.265935 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -54.377
Base-Backbone interact. energy: -1.258
local terms energy: -56.415913
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: 8.094 (S_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: -204.655800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.655800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824330 (E_RNA)
where:
Base-Base interactions energy: -139.629
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.110
local terms energy: -65.085238
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -201.456870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.456870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488597 (E_RNA)
where:
Base-Base interactions energy: -151.648
where: short stacking energy: -58.324
Base-Backbone interact. energy: 0.035
local terms energy: -49.875683
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -237.452444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.452444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.452444 (E_RNA)
where:
Base-Base interactions energy: -174.930
where: short stacking energy: -71.514
Base-Backbone interact. energy: -0.008
local terms energy: -62.514331
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -4.197
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: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -214.357712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.357712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.357712 (E_RNA)
where:
Base-Base interactions energy: -144.920
where: short stacking energy: -61.330
Base-Backbone interact. energy: -0.077
local terms energy: -69.360451
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.526
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -218.486190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.486190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.515234 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -60.041
Base-Backbone interact. energy: -0.138
local terms energy: -62.321984
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -217.009701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.009701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.043968 (E_RNA)
where:
Base-Base interactions energy: -156.349
where: short stacking energy: -61.226
Base-Backbone interact. energy: 1.259
local terms energy: -61.954101
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.034 (S_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: 364
Temperature: 1.100000
Total energy: -210.485239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.485239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.485239 (E_RNA)
where:
Base-Base interactions energy: -146.012
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.001
local terms energy: -64.471745
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -205.328115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.328115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.382523 (E_RNA)
where:
Base-Base interactions energy: -144.674
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.002
local terms energy: -60.707212
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.054 (S_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: 364
Temperature: 1.200000
Total energy: -187.101997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.101997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.059427 (E_RNA)
where:
Base-Base interactions energy: -137.597
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.002
local terms energy: -57.460268
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 7.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -183.516188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.516188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.471640 (E_RNA)
where:
Base-Base interactions energy: -135.919
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.001
local terms energy: -54.551465
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 6.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -186.764035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.764035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.941139 (E_RNA)
where:
Base-Base interactions energy: -135.910
where: short stacking energy: -51.929
Base-Backbone interact. energy: 1.333
local terms energy: -52.363477
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.177 (S_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: -187.924604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.978859 (E_RNA)
where:
Base-Base interactions energy: -134.980
where: short stacking energy: -54.824
Base-Backbone interact. energy: -0.003
local terms energy: -52.995455
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -236.931761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.931761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.959905 (E_RNA)
where:
Base-Base interactions energy: -171.454
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.335
local terms energy: -65.171203
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.028 (S_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: 365
Temperature: 0.950000
Total energy: -224.908458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.908458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.972970 (E_RNA)
where:
Base-Base interactions energy: -162.469
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.004
local terms energy: -62.500345
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.065 (S_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: 365
Temperature: 1.000000
Total energy: -216.133781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.133781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.168805 (E_RNA)
where:
Base-Base interactions energy: -147.194
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.000
local terms energy: -68.974795
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.035 (S_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: 365
Temperature: 1.050000
Total energy: -207.435087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.435087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.834465 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.572
local terms energy: -63.670872
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -217.354673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.354673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.354673 (E_RNA)
where:
Base-Base interactions energy: -152.872
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.062
local terms energy: -64.420346
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -11.451
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: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -205.933040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.933040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.935314 (E_RNA)
where:
Base-Base interactions energy: -142.344
where: short stacking energy: -54.921
Base-Backbone interact. energy: -0.020
local terms energy: -63.571893
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.002 (S_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: 365
Temperature: 1.200000
Total energy: -185.280610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.280610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.685516 (E_RNA)
where:
Base-Base interactions energy: -130.140
where: short stacking energy: -54.913
Base-Backbone interact. energy: -0.120
local terms energy: -62.425522
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -199.617846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.617846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.617846 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.193
local terms energy: -51.530717
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -8.056
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -184.975286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.975286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.790641 (E_RNA)
where:
Base-Base interactions energy: -136.024
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.042
local terms energy: -57.724129
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 8.815 (S_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: -194.960725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.960725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.145189 (E_RNA)
where:
Base-Base interactions energy: -139.964
where: short stacking energy: -51.916
Base-Backbone interact. energy: 0.128
local terms energy: -55.308887
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -7.025
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -233.322848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.322848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.335848 (E_RNA)
where:
Base-Base interactions energy: -173.182
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.596
local terms energy: -59.557751
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -217.467846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.467846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.473872 (E_RNA)
where:
Base-Base interactions energy: -150.772
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.094
local terms energy: -66.607686
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.006 (S_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: 366
Temperature: 1.000000
Total energy: -212.305652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.305652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.362750 (E_RNA)
where:
Base-Base interactions energy: -145.853
where: short stacking energy: -62.412
Base-Backbone interact. energy: -0.123
local terms energy: -66.387353
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.057 (S_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: 366
Temperature: 1.050000
Total energy: -213.627218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.844145 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.026
local terms energy: -64.227065
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.217 (S_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: 366
Temperature: 1.100000
Total energy: -208.759014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.759014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831870 (E_RNA)
where:
Base-Base interactions energy: -141.746
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.698
local terms energy: -66.388046
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -207.937574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.937574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039783 (E_RNA)
where:
Base-Base interactions energy: -150.579
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.007
local terms energy: -57.453664
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.102 (S_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: 366
Temperature: 1.200000
Total energy: -205.121837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.121837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.326242 (E_RNA)
where:
Base-Base interactions energy: -143.959
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.009
local terms energy: -61.357921
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -188.811631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.811631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.873262 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.751
local terms energy: -56.965062
where:
bonds (distance) C4'-P energy: -4.232
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 7.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -182.665768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.665768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.436564 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.018
local terms energy: -57.902395
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 6.771 (S_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: 366
Temperature: 1.350000
Total energy: -204.555574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.555574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.655178 (E_RNA)
where:
Base-Base interactions energy: -142.599
where: short stacking energy: -58.488
Base-Backbone interact. energy: -0.002
local terms energy: -62.054411
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -233.807073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.807073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.807073 (E_RNA)
where:
Base-Base interactions energy: -171.804
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.452
local terms energy: -61.551886
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -16.848
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: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -220.236297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.236297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.309710 (E_RNA)
where:
Base-Base interactions energy: -150.873
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.001
local terms energy: -69.436368
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -215.484776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.484776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.514288 (E_RNA)
where:
Base-Base interactions energy: -158.798
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.088
local terms energy: -56.627802
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -205.666157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.690794 (E_RNA)
where:
Base-Base interactions energy: -143.660
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.131
local terms energy: -61.899697
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.025 (S_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: 367
Temperature: 1.100000
Total energy: -203.831459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.831459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.939274 (E_RNA)
where:
Base-Base interactions energy: -144.012
where: short stacking energy: -60.169
Base-Backbone interact. energy: -0.076
local terms energy: -59.850782
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.108 (S_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: 367
Temperature: 1.150000
Total energy: -208.733640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.733640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.762604 (E_RNA)
where:
Base-Base interactions energy: -153.742
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.031
local terms energy: -54.989915
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.029 (S_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: 367
Temperature: 1.200000
Total energy: -198.847945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.847945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.912974 (E_RNA)
where:
Base-Base interactions energy: -138.137
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.094
local terms energy: -60.681853
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -182.119844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.119844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.812657 (E_RNA)
where:
Base-Base interactions energy: -133.525
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.003
local terms energy: -59.284983
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 10.693 (S_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: 367
Temperature: 1.300000
Total energy: -177.209166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.209166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.713049 (E_RNA)
where:
Base-Base interactions energy: -131.551
where: short stacking energy: -56.150
Base-Backbone interact. energy: -1.028
local terms energy: -53.134629
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 8.504 (S_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: 367
Temperature: 1.350000
Total energy: -190.432241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.432241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.438640 (E_RNA)
where:
Base-Base interactions energy: -130.931
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.481
local terms energy: -59.026541
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -238.119553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.119553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.162541 (E_RNA)
where:
Base-Base interactions energy: -173.617
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.015
local terms energy: -64.530216
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -214.189737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.189737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.191944 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.001
local terms energy: -63.357355
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.002 (S_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: 368
Temperature: 1.000000
Total energy: -218.814781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.814781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.814781 (E_RNA)
where:
Base-Base interactions energy: -160.735
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.206
local terms energy: -57.873483
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -208.543792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.543792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.631273 (E_RNA)
where:
Base-Base interactions energy: -143.606
where: short stacking energy: -55.753
Base-Backbone interact. energy: -0.188
local terms energy: -64.837349
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.087 (S_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: 368
Temperature: 1.100000
Total energy: -215.135652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.135652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.156779 (E_RNA)
where:
Base-Base interactions energy: -158.813
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.022
local terms energy: -56.321430
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.021 (S_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: 368
Temperature: 1.150000
Total energy: -205.997389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.997389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.044703 (E_RNA)
where:
Base-Base interactions energy: -156.140
where: short stacking energy: -59.122
Base-Backbone interact. energy: -0.040
local terms energy: -49.865300
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: 0.679
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.047 (S_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: 368
Temperature: 1.200000
Total energy: -202.749579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.749579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.752637 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -60.353
Base-Backbone interact. energy: 0.352
local terms energy: -62.956830
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -192.645651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.645651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.975881 (E_RNA)
where:
Base-Base interactions energy: -140.911
where: short stacking energy: -61.086
Base-Backbone interact. energy: -0.722
local terms energy: -59.342323
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 8.330 (S_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: 368
Temperature: 1.300000
Total energy: -200.478688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.478688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.511245 (E_RNA)
where:
Base-Base interactions energy: -134.201
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.014
local terms energy: -66.296348
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.033 (S_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: 368
Temperature: 1.350000
Total energy: -181.864508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.864508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.128988 (E_RNA)
where:
Base-Base interactions energy: -130.620
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.880
local terms energy: -57.628410
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 7.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -231.263622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.263622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.321934 (E_RNA)
where:
Base-Base interactions energy: -170.514
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.020
local terms energy: -60.787355
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.058 (S_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: 369
Temperature: 0.950000
Total energy: -219.182634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.221309 (E_RNA)
where:
Base-Base interactions energy: -157.760
where: short stacking energy: -66.535
Base-Backbone interact. energy: 0.515
local terms energy: -61.976487
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.039 (S_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: 369
Temperature: 1.000000
Total energy: -212.418201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.418201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.578208 (E_RNA)
where:
Base-Base interactions energy: -146.839
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.003
local terms energy: -65.736590
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.160 (S_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: 369
Temperature: 1.050000
Total energy: -211.806488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.806488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.844176 (E_RNA)
where:
Base-Base interactions energy: -149.540
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.046
local terms energy: -62.258810
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.038 (S_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: 369
Temperature: 1.100000
Total energy: -206.209984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.209984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.214079 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.100
local terms energy: -58.957134
where:
bonds (distance) C4'-P energy: -7.914
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.004 (S_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: 369
Temperature: 1.150000
Total energy: -200.441553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.441553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.468958 (E_RNA)
where:
Base-Base interactions energy: -141.679
where: short stacking energy: -57.714
Base-Backbone interact. energy: 0.261
local terms energy: -59.050997
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -200.409459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.409459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.579212 (E_RNA)
where:
Base-Base interactions energy: -142.686
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.004
local terms energy: -57.889193
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -201.839386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.839386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.872566 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.003
local terms energy: -63.598775
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -182.804715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.804715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.872050 (E_RNA)
where:
Base-Base interactions energy: -126.204
where: short stacking energy: -53.566
Base-Backbone interact. energy: -0.001
local terms energy: -63.667051
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 7.067 (S_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: 369
Temperature: 1.350000
Total energy: -167.500344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.500344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.467698 (E_RNA)
where:
Base-Base interactions energy: -123.222
where: short stacking energy: -47.199
Base-Backbone interact. energy: -0.102
local terms energy: -52.143822
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 7.967 (S_DIST_RNA)
chem. 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: -235.829865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.829865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.889265 (E_RNA)
where:
Base-Base interactions energy: -170.302
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.018
local terms energy: -65.569566
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -217.452241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.452241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.452241 (E_RNA)
where:
Base-Base interactions energy: -161.462
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.001
local terms energy: -55.989576
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -215.203831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.203831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.232685 (E_RNA)
where:
Base-Base interactions energy: -151.162
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.065
local terms energy: -64.005981
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.029 (S_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: 370
Temperature: 1.050000
Total energy: -221.810963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.810963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.900552 (E_RNA)
where:
Base-Base interactions energy: -166.301
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.074
local terms energy: -55.525461
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.090 (S_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: 370
Temperature: 1.100000
Total energy: -210.509516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.509516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.556427 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.018
local terms energy: -57.090489
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.047 (S_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: 370
Temperature: 1.150000
Total energy: -202.375338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375338 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.098
local terms energy: -59.050997
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -197.876840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.876840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.935616 (E_RNA)
where:
Base-Base interactions energy: -137.285
where: short stacking energy: -51.825
Base-Backbone interact. energy: -0.009
local terms energy: -60.641397
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -190.219524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.219524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.323315 (E_RNA)
where:
Base-Base interactions energy: -132.831
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.265
local terms energy: -57.226917
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: -15.486
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -166.164892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.164892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.435858 (E_RNA)
where:
Base-Base interactions energy: -119.220
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.676
local terms energy: -53.540772
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 7.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -179.652904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.652904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.743795 (E_RNA)
where:
Base-Base interactions energy: -131.431
where: short stacking energy: -53.743
Base-Backbone interact. energy: -0.764
local terms energy: -56.549629
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 9.091 (S_DIST_RNA)
chem. 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: -233.862394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.862394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.888480 (E_RNA)
where:
Base-Base interactions energy: -173.355
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.243
local terms energy: -60.290620
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -2.670
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.026 (S_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: 371
Temperature: 0.950000
Total energy: -228.935646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.935646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014741 (E_RNA)
where:
Base-Base interactions energy: -165.991
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.050
local terms energy: -62.973387
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.079 (S_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: 371
Temperature: 1.000000
Total energy: -217.530249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.530249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.530249 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.032
local terms energy: -59.385362
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -223.051833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.051833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.163318 (E_RNA)
where:
Base-Base interactions energy: -160.333
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.104
local terms energy: -62.726125
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.111 (S_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: 371
Temperature: 1.100000
Total energy: -204.706073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.803951 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.001
local terms energy: -59.522123
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -209.445871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.462501 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -64.444
Base-Backbone interact. energy: -0.043
local terms energy: -57.988766
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.017 (S_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: 371
Temperature: 1.200000
Total energy: -200.160687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.160687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.183730 (E_RNA)
where:
Base-Base interactions energy: -139.283
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.150
local terms energy: -60.750168
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -181.900302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.900302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.768688 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -53.989
Base-Backbone interact. energy: -1.060
local terms energy: -59.142721
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 7.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -193.507264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.507264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.594130 (E_RNA)
where:
Base-Base interactions energy: -131.855
where: short stacking energy: -49.132
Base-Backbone interact. energy: -0.089
local terms energy: -61.650477
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -176.380321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.621519 (E_RNA)
where:
Base-Base interactions energy: -126.041
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.051
local terms energy: -58.529190
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -7.492
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 8.241 (S_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: 372
Temperature: 0.900000
Total energy: -227.984334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.984334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.997873 (E_RNA)
where:
Base-Base interactions energy: -162.493
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.002
local terms energy: -65.502554
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.014 (S_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: 372
Temperature: 0.950000
Total energy: -233.734541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.734541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.797547 (E_RNA)
where:
Base-Base interactions energy: -170.558
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.142
local terms energy: -63.097457
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.063 (S_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: 372
Temperature: 1.000000
Total energy: -226.275875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.275875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.314184 (E_RNA)
where:
Base-Base interactions energy: -165.212
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.913
local terms energy: -60.189436
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.038 (S_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: 372
Temperature: 1.050000
Total energy: -209.875496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.875496 (E_RNA)
where:
Base-Base interactions energy: -148.205
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.002
local terms energy: -61.668396
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -208.151051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.151051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.289344 (E_RNA)
where:
Base-Base interactions energy: -146.309
where: short stacking energy: -60.483
Base-Backbone interact. energy: -0.365
local terms energy: -61.614906
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -207.603828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.603828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.612104 (E_RNA)
where:
Base-Base interactions energy: -142.352
where: short stacking energy: -61.200
Base-Backbone interact. energy: 0.175
local terms energy: -65.435724
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.008 (S_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: 372
Temperature: 1.200000
Total energy: -202.793220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.793220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.798987 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -54.809
Base-Backbone interact. energy: -0.002
local terms energy: -62.756430
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.006 (S_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: 372
Temperature: 1.250000
Total energy: -169.168932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.168932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.466378 (E_RNA)
where:
Base-Base interactions energy: -123.065
where: short stacking energy: -49.753
Base-Backbone interact. energy: 0.083
local terms energy: -53.484130
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 7.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -182.639082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.639082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.281769 (E_RNA)
where:
Base-Base interactions energy: -128.488
where: short stacking energy: -52.567
Base-Backbone interact. energy: -0.000
local terms energy: -60.793675
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 6.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -191.449448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.449448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.486706 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -53.867
Base-Backbone interact. energy: 0.568
local terms energy: -57.359824
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.037 (S_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: 373
Temperature: 0.900000
Total energy: -230.682177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.682177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.682177 (E_RNA)
where:
Base-Base interactions energy: -167.548
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.008
local terms energy: -63.126285
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -232.358197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.358197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.441522 (E_RNA)
where:
Base-Base interactions energy: -165.099
where: short stacking energy: -66.894
Base-Backbone interact. energy: -2.483
local terms energy: -64.859756
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -235.397529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.397529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.426781 (E_RNA)
where:
Base-Base interactions energy: -170.994
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.063
local terms energy: -64.369446
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -214.712136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.712136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.926790 (E_RNA)
where:
Base-Base interactions energy: -145.790
where: short stacking energy: -62.734
Base-Backbone interact. energy: -0.167
local terms energy: -68.969120
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.215 (S_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: 373
Temperature: 1.100000
Total energy: -223.140742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.140742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.157063 (E_RNA)
where:
Base-Base interactions energy: -162.173
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.184
local terms energy: -60.799655
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.016 (S_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: 373
Temperature: 1.150000
Total energy: -207.914495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.914495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.977795 (E_RNA)
where:
Base-Base interactions energy: -149.380
where: short stacking energy: -59.187
Base-Backbone interact. energy: 0.125
local terms energy: -58.722586
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -204.754104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.754104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.294772 (E_RNA)
where:
Base-Base interactions energy: -144.957
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.002
local terms energy: -60.336211
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.541 (S_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: 373
Temperature: 1.250000
Total energy: -183.978096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.978096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.479722 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -53.893
Base-Backbone interact. energy: -0.316
local terms energy: -64.725180
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 9.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -173.763598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.763598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.653747 (E_RNA)
where:
Base-Base interactions energy: -124.532
where: short stacking energy: -53.291
Base-Backbone interact. energy: -0.319
local terms energy: -55.802939
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 6.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -195.256978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.398507 (E_RNA)
where:
Base-Base interactions energy: -136.001
where: short stacking energy: -57.256
Base-Backbone interact. energy: -0.437
local terms energy: -58.960492
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.142 (S_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: 374
Temperature: 0.900000
Total energy: -237.157309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.157309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.195272 (E_RNA)
where:
Base-Base interactions energy: -171.056
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.003
local terms energy: -66.136203
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.038 (S_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: 374
Temperature: 0.950000
Total energy: -229.494378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.494378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.574186 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.145
local terms energy: -59.740503
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -235.304271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.304271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.330097 (E_RNA)
where:
Base-Base interactions energy: -170.643
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.019
local terms energy: -64.667140
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -216.044383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.044383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044383 (E_RNA)
where:
Base-Base interactions energy: -153.951
where: short stacking energy: -62.617
Base-Backbone interact. energy: -0.041
local terms energy: -62.052706
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -17.604
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: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -198.657523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.711354 (E_RNA)
where:
Base-Base interactions energy: -140.130
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.005
local terms energy: -58.576752
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -218.144452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.144452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.193715 (E_RNA)
where:
Base-Base interactions energy: -159.916
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.029
local terms energy: -58.248568
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.049 (S_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: 374
Temperature: 1.200000
Total energy: -189.731851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.731851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.385069 (E_RNA)
where:
Base-Base interactions energy: -138.843
where: short stacking energy: -62.885
Base-Backbone interact. energy: -1.011
local terms energy: -57.531611
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 7.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -198.039958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.039958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.080187 (E_RNA)
where:
Base-Base interactions energy: -146.032
where: short stacking energy: -53.406
Base-Backbone interact. energy: -0.018
local terms energy: -52.030108
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -196.592270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.592270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.619568 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.410
local terms energy: -52.597898
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -181.814910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.814910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.381224 (E_RNA)
where:
Base-Base interactions energy: -129.262
where: short stacking energy: -56.579
Base-Backbone interact. energy: 0.147
local terms energy: -60.266983
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 7.566 (S_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: 375
Temperature: 0.900000
Total energy: -235.989706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.989706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.007169 (E_RNA)
where:
Base-Base interactions energy: -171.626
where: short stacking energy: -71.233
Base-Backbone interact. energy: -0.635
local terms energy: -63.746188
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.017 (S_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: 375
Temperature: 0.950000
Total energy: -232.816176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.816176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.881160 (E_RNA)
where:
Base-Base interactions energy: -167.336
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.470
local terms energy: -65.074536
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.065 (S_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: 375
Temperature: 1.000000
Total energy: -215.887112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.887112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.989312 (E_RNA)
where:
Base-Base interactions energy: -155.557
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.008
local terms energy: -60.423842
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.102 (S_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: 375
Temperature: 1.050000
Total energy: -200.191781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.191781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.226106 (E_RNA)
where:
Base-Base interactions energy: -137.478
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.692
local terms energy: -62.055905
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -201.533005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.533005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.565894 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -51.647
Base-Backbone interact. energy: -0.137
local terms energy: -63.160678
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -208.133798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.133798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.281323 (E_RNA)
where:
Base-Base interactions energy: -146.030
where: short stacking energy: -63.757
Base-Backbone interact. energy: 0.013
local terms energy: -62.264278
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.148 (S_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: 375
Temperature: 1.200000
Total energy: -187.928130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.928130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.258558 (E_RNA)
where:
Base-Base interactions energy: -126.601
where: short stacking energy: -48.853
Base-Backbone interact. energy: -1.604
local terms energy: -67.053953
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 7.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -196.042338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.042338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.176220 (E_RNA)
where:
Base-Base interactions energy: -140.785
where: short stacking energy: -54.035
Base-Backbone interact. energy: 1.169
local terms energy: -56.560918
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -192.795451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.795451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.829705 (E_RNA)
where:
Base-Base interactions energy: -137.097
where: short stacking energy: -55.563
Base-Backbone interact. energy: 1.043
local terms energy: -56.776106
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -172.988051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.988051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.239378 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.096
local terms energy: -50.031657
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -7.786
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 7.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -236.921969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.921969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.979285 (E_RNA)
where:
Base-Base interactions energy: -172.702
where: short stacking energy: -67.342
Base-Backbone interact. energy: -0.592
local terms energy: -63.685040
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -226.419959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.419959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.419959 (E_RNA)
where:
Base-Base interactions energy: -165.422
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.141
local terms energy: -60.856888
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -7.282
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -206.519155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.519155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.559623 (E_RNA)
where:
Base-Base interactions energy: -143.805
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.000
local terms energy: -62.754295
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.040 (S_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: 376
Temperature: 1.050000
Total energy: -199.595507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.595507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595507 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.271
local terms energy: -56.738725
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.882
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: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -218.079410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.079410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.137734 (E_RNA)
where:
Base-Base interactions energy: -165.064
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.002
local terms energy: -53.072187
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -197.379782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.379782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.385948 (E_RNA)
where:
Base-Base interactions energy: -138.943
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.101
local terms energy: -58.342457
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -204.665901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.665901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791738 (E_RNA)
where:
Base-Base interactions energy: -148.845
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.018
local terms energy: -55.929327
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.126 (S_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: 376
Temperature: 1.250000
Total energy: -179.654158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.654158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.043769 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -53.934
Base-Backbone interact. energy: -0.748
local terms energy: -54.683882
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 7.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -173.280933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.280933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.383309 (E_RNA)
where:
Base-Base interactions energy: -125.081
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.001
local terms energy: -56.301291
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 8.102 (S_DIST_RNA)
chem. 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: -195.333301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.333301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.354679 (E_RNA)
where:
Base-Base interactions energy: -141.219
where: short stacking energy: -57.513
Base-Backbone interact. energy: 1.982
local terms energy: -56.117040
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -234.562270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.562270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.683589 (E_RNA)
where:
Base-Base interactions energy: -172.273
where: short stacking energy: -68.578
Base-Backbone interact. energy: -0.007
local terms energy: -62.403421
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -209.644755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.644755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.709484 (E_RNA)
where:
Base-Base interactions energy: -149.734
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.235
local terms energy: -59.740442
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -226.140203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.140203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.140203 (E_RNA)
where:
Base-Base interactions energy: -161.942
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.110
local terms energy: -64.088528
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -215.367633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.367633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.759109 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.864
local terms energy: -58.325352
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -202.368960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.368960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514952 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.001
local terms energy: -62.952082
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -203.849055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.849055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.849055 (E_RNA)
where:
Base-Base interactions energy: -155.212
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.037
local terms energy: -48.599563
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -7.647
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -13.471
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: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -199.920498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.920498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.957273 (E_RNA)
where:
Base-Base interactions energy: -146.530
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.015
local terms energy: -53.412065
where:
bonds (distance) C4'-P energy: -6.103
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.037 (S_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: 377
Temperature: 1.250000
Total energy: -182.495680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.495680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.318816 (E_RNA)
where:
Base-Base interactions energy: -141.112
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.029
local terms energy: -49.178489
where:
bonds (distance) C4'-P energy: -7.150
bonds (distance) P-C4' energy: -6.396
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 7.823 (S_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: 377
Temperature: 1.300000
Total energy: -176.366642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.366642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.002495 (E_RNA)
where:
Base-Base interactions energy: -124.753
where: short stacking energy: -51.974
Base-Backbone interact. energy: -0.011
local terms energy: -60.238285
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 8.636 (S_DIST_RNA)
chem. 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: -190.028379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.028379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.076575 (E_RNA)
where:
Base-Base interactions energy: -131.438
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.051
local terms energy: -58.587527
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.048 (S_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: 378
Temperature: 0.900000
Total energy: -230.152901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.152901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.155167 (E_RNA)
where:
Base-Base interactions energy: -170.080
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.038
local terms energy: -60.036777
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -2.458
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.002 (S_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: -232.110912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.110912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.126626 (E_RNA)
where:
Base-Base interactions energy: -173.511
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.008
local terms energy: -58.607668
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -220.553178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.553178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.589038 (E_RNA)
where:
Base-Base interactions energy: -153.795
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.004
local terms energy: -66.789914
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.036 (S_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: 378
Temperature: 1.050000
Total energy: -214.642320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.700455 (E_RNA)
where:
Base-Base interactions energy: -151.697
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.092
local terms energy: -62.911099
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -205.167338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.167338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.167338 (E_RNA)
where:
Base-Base interactions energy: -142.712
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.020
local terms energy: -62.435580
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -201.662699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.662699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.662699 (E_RNA)
where:
Base-Base interactions energy: -144.592
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.103
local terms energy: -56.967760
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -13.424
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: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -214.010775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.010775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.398933 (E_RNA)
where:
Base-Base interactions energy: -161.412
where: short stacking energy: -63.889
Base-Backbone interact. energy: 0.154
local terms energy: -53.140741
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.388 (S_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: 378
Temperature: 1.250000
Total energy: -186.186932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.186932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.358702 (E_RNA)
where:
Base-Base interactions energy: -130.278
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.374
local terms energy: -64.706643
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 9.172 (S_DIST_RNA)
chem. 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: -194.414795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.414795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.641049 (E_RNA)
where:
Base-Base interactions energy: -136.789
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.000
local terms energy: -57.851971
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.226 (S_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: 378
Temperature: 1.350000
Total energy: -174.430070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.430070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.529385 (E_RNA)
where:
Base-Base interactions energy: -126.141
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.495
local terms energy: -55.894067
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 8.099 (S_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: 379
Temperature: 0.900000
Total energy: -227.466435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.466435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.536731 (E_RNA)
where:
Base-Base interactions energy: -168.766
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.077
local terms energy: -58.693020
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -2.230
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.070 (S_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: 379
Temperature: 0.950000
Total energy: -227.460371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538993 (E_RNA)
where:
Base-Base interactions energy: -165.379
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.013
local terms energy: -62.147153
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -209.649091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.649091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.782197 (E_RNA)
where:
Base-Base interactions energy: -144.024
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.002
local terms energy: -65.756096
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -209.215329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.215329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.362484 (E_RNA)
where:
Base-Base interactions energy: -143.367
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.001
local terms energy: -65.994661
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.147 (S_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: 379
Temperature: 1.100000
Total energy: -201.368856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.368856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.572922 (E_RNA)
where:
Base-Base interactions energy: -140.938
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.001
local terms energy: -60.633018
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -214.394934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420496 (E_RNA)
where:
Base-Base interactions energy: -157.454
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.004
local terms energy: -56.962333
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.026 (S_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: 379
Temperature: 1.200000
Total energy: -210.741868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.741868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.741868 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.217
local terms energy: -63.600777
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -13.349
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: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -202.148884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.148884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.163091 (E_RNA)
where:
Base-Base interactions energy: -140.368
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.100
local terms energy: -61.694426
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.014 (S_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: 379
Temperature: 1.300000
Total energy: -188.265388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.265388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.119626 (E_RNA)
where:
Base-Base interactions energy: -140.526
where: short stacking energy: -56.800
Base-Backbone interact. energy: -0.055
local terms energy: -54.538158
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 6.854 (S_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: 379
Temperature: 1.350000
Total energy: -178.642619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.642619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.129903 (E_RNA)
where:
Base-Base interactions energy: -124.811
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.049
local terms energy: -60.269579
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 6.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -235.923344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.923344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.094020 (E_RNA)
where:
Base-Base interactions energy: -174.158
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.166
local terms energy: -61.770207
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.171 (S_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: 380
Temperature: 0.950000
Total energy: -227.210470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.210470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.594580 (E_RNA)
where:
Base-Base interactions energy: -169.763
where: short stacking energy: -68.467
Base-Backbone interact. energy: -0.046
local terms energy: -57.785891
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.384 (S_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: 380
Temperature: 1.000000
Total energy: -212.874325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.874325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.983433 (E_RNA)
where:
Base-Base interactions energy: -144.246
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.130
local terms energy: -68.608101
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -219.640296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.640296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690315 (E_RNA)
where:
Base-Base interactions energy: -161.271
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.013
local terms energy: -58.406390
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.050 (S_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: 380
Temperature: 1.100000
Total energy: -203.876993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.876993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.962835 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -52.068
Base-Backbone interact. energy: 0.002
local terms energy: -64.115414
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.086 (S_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: -206.770851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.770851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.785441 (E_RNA)
where:
Base-Base interactions energy: -147.423
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.644
local terms energy: -58.717467
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. 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: -207.531036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.531036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.559992 (E_RNA)
where:
Base-Base interactions energy: -147.602
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.004
local terms energy: -59.953974
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.029 (S_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: 380
Temperature: 1.250000
Total energy: -200.734440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.734440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.778997 (E_RNA)
where:
Base-Base interactions energy: -144.071
where: short stacking energy: -58.714
Base-Backbone interact. energy: -0.005
local terms energy: -56.703144
where:
bonds (distance) C4'-P energy: -6.617
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.045 (S_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: 380
Temperature: 1.300000
Total energy: -182.193521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.424122 (E_RNA)
where:
Base-Base interactions energy: -127.962
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.001
local terms energy: -62.460648
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 8.231 (S_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: 380
Temperature: 1.350000
Total energy: -169.308873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.308873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.351367 (E_RNA)
where:
Base-Base interactions energy: -121.198
where: short stacking energy: -55.756
Base-Backbone interact. energy: -0.000
local terms energy: -56.152944
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 8.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -237.805737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.805737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.845155 (E_RNA)
where:
Base-Base interactions energy: -176.006
where: short stacking energy: -70.184
Base-Backbone interact. energy: -0.007
local terms energy: -61.832742
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.039 (S_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: 381
Temperature: 0.950000
Total energy: -226.239399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.239399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.262896 (E_RNA)
where:
Base-Base interactions energy: -166.463
where: short stacking energy: -66.065
Base-Backbone interact. energy: -0.126
local terms energy: -59.674365
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.023 (S_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: -212.493451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.493451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713177 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -61.881
Base-Backbone interact. energy: -0.005
local terms energy: -67.335214
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.220 (S_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: 381
Temperature: 1.050000
Total energy: -213.243422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.243422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.326272 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.000
local terms energy: -60.915841
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.083 (S_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: 381
Temperature: 1.100000
Total energy: -208.058103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.058103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.467329 (E_RNA)
where:
Base-Base interactions energy: -146.848
where: short stacking energy: -62.002
Base-Backbone interact. energy: -0.093
local terms energy: -61.525863
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.409 (S_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: -207.406599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.406599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.440676 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.416
local terms energy: -62.132854
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.034 (S_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: -200.252353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.307242 (E_RNA)
where:
Base-Base interactions energy: -142.472
where: short stacking energy: -60.255
Base-Backbone interact. energy: -0.057
local terms energy: -57.778809
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.055 (S_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: 381
Temperature: 1.250000
Total energy: -183.835499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.025849 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.011
local terms energy: -59.938607
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 8.190 (S_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: 381
Temperature: 1.300000
Total energy: -196.613453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.613453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759848 (E_RNA)
where:
Base-Base interactions energy: -149.595
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.016
local terms energy: -47.148170
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -2.264
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.146 (S_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: 381
Temperature: 1.350000
Total energy: -180.709116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.709116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.947578 (E_RNA)
where:
Base-Base interactions energy: -127.021
where: short stacking energy: -53.140
Base-Backbone interact. energy: -1.123
local terms energy: -60.803195
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 8.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -243.166270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.166270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.184930 (E_RNA)
where:
Base-Base interactions energy: -174.985
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.003
local terms energy: -68.196630
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.019 (S_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: 382
Temperature: 0.950000
Total energy: -216.860316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.866088 (E_RNA)
where:
Base-Base interactions energy: -152.564
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.001
local terms energy: -64.301569
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.006 (S_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: 382
Temperature: 1.000000
Total energy: -214.335615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.335615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.472819 (E_RNA)
where:
Base-Base interactions energy: -157.260
where: short stacking energy: -59.223
Base-Backbone interact. energy: -0.043
local terms energy: -57.169779
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.137 (S_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: -218.237096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.237096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.316604 (E_RNA)
where:
Base-Base interactions energy: -153.754
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.001
local terms energy: -64.561192
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.080 (S_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: 382
Temperature: 1.100000
Total energy: -205.000066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.000066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.024288 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.075
local terms energy: -59.347754
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.024 (S_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: -208.528621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.528621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.528621 (E_RNA)
where:
Base-Base interactions energy: -150.651
where: short stacking energy: -56.699
Base-Backbone interact. energy: -0.004
local terms energy: -57.873229
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -203.039411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.039411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.088533 (E_RNA)
where:
Base-Base interactions energy: -146.075
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.002
local terms energy: -57.011182
where:
bonds (distance) C4'-P energy: -6.769
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -177.638295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.638295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.218546 (E_RNA)
where:
Base-Base interactions energy: -128.161
where: short stacking energy: -59.839
Base-Backbone interact. energy: 0.070
local terms energy: -57.127567
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 7.580 (S_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: 382
Temperature: 1.300000
Total energy: -177.435968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.435968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.980131 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -52.491
Base-Backbone interact. energy: -2.113
local terms energy: -56.536961
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 7.544 (S_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: 382
Temperature: 1.350000
Total energy: -184.513568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.513568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.570482 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -52.156
Base-Backbone interact. energy: -0.001
local terms energy: -51.808823
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -232.776345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.776345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.126292 (E_RNA)
where:
Base-Base interactions energy: -170.512
where: short stacking energy: -67.887
Base-Backbone interact. energy: -0.721
local terms energy: -61.893920
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -235.618499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.618499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.618499 (E_RNA)
where:
Base-Base interactions energy: -175.945
where: short stacking energy: -73.653
Base-Backbone interact. energy: -0.006
local terms energy: -59.667628
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -214.473652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.473652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.523634 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.013
local terms energy: -66.250843
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -210.383276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.383276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.400458 (E_RNA)
where:
Base-Base interactions energy: -145.842
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.041
local terms energy: -64.517125
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.017 (S_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: -216.878048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.878048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.878048 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -61.673
Base-Backbone interact. energy: 0.242
local terms energy: -64.942721
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.467
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: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -203.818814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.818814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.994366 (E_RNA)
where:
Base-Base interactions energy: -140.207
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.077
local terms energy: -63.710408
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -9.819
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -194.126401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.126401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.263674 (E_RNA)
where:
Base-Base interactions energy: -139.143
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.136
local terms energy: -54.985054
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.137 (S_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: 383
Temperature: 1.250000
Total energy: -179.363024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.363024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.697376 (E_RNA)
where:
Base-Base interactions energy: -129.116
where: short stacking energy: -51.688
Base-Backbone interact. energy: -0.082
local terms energy: -57.499675
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 7.334 (S_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: 383
Temperature: 1.300000
Total energy: -168.013279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.013279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.313294 (E_RNA)
where:
Base-Base interactions energy: -127.057
where: short stacking energy: -50.061
Base-Backbone interact. energy: -0.252
local terms energy: -48.003839
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 7.300 (S_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: 383
Temperature: 1.350000
Total energy: -194.440510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.440510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.617338 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.279
local terms energy: -60.654550
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.177 (S_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: 384
Temperature: 0.900000
Total energy: -244.234354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.234354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.300177 (E_RNA)
where:
Base-Base interactions energy: -176.161
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.005
local terms energy: -68.134755
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.066 (S_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: 384
Temperature: 0.950000
Total energy: -234.130439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.130439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.404693 (E_RNA)
where:
Base-Base interactions energy: -168.669
where: short stacking energy: -70.278
Base-Backbone interact. energy: -0.160
local terms energy: -65.576055
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -218.194052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.194052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.323841 (E_RNA)
where:
Base-Base interactions energy: -154.429
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.004
local terms energy: -63.891278
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.130 (S_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: 384
Temperature: 1.050000
Total energy: -210.091335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.091335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176916 (E_RNA)
where:
Base-Base interactions energy: -145.350
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.054
local terms energy: -64.772955
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.086 (S_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: -208.679326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.679326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.687906 (E_RNA)
where:
Base-Base interactions energy: -146.928
where: short stacking energy: -59.858
Base-Backbone interact. energy: 0.645
local terms energy: -62.405393
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -203.122527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.122527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.373532 (E_RNA)
where:
Base-Base interactions energy: -141.355
where: short stacking energy: -58.826
Base-Backbone interact. energy: 0.598
local terms energy: -62.616548
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -202.985330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.985330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.988099 (E_RNA)
where:
Base-Base interactions energy: -141.613
where: short stacking energy: -55.026
Base-Backbone interact. energy: 0.367
local terms energy: -61.741962
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.003 (S_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: 384
Temperature: 1.250000
Total energy: -173.971931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.971931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.271763 (E_RNA)
where:
Base-Base interactions energy: -126.399
where: short stacking energy: -49.855
Base-Backbone interact. energy: -0.827
local terms energy: -54.045655
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 7.300 (S_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: 384
Temperature: 1.300000
Total energy: -197.920709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.920709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000098 (E_RNA)
where:
Base-Base interactions energy: -135.395
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.010
local terms energy: -62.595206
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.079 (S_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: 384
Temperature: 1.350000
Total energy: -179.852439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.852439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.810518 (E_RNA)
where:
Base-Base interactions energy: -131.947
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.482
local terms energy: -55.381536
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 7.958 (S_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: 385
Temperature: 0.900000
Total energy: -239.458868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.458868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.517669 (E_RNA)
where:
Base-Base interactions energy: -172.989
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.058
local terms energy: -66.470080
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.059 (S_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: 385
Temperature: 0.950000
Total energy: -220.034034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.034034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.038629 (E_RNA)
where:
Base-Base interactions energy: -156.969
where: short stacking energy: -65.301
Base-Backbone interact. energy: 1.116
local terms energy: -64.185837
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -230.497506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.497506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.513522 (E_RNA)
where:
Base-Base interactions energy: -170.061
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.220
local terms energy: -60.232622
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.016 (S_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: -210.264101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.264101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.305397 (E_RNA)
where:
Base-Base interactions energy: -150.041
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.422
local terms energy: -59.841934
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.041 (S_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: 385
Temperature: 1.100000
Total energy: -208.394152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.394152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.409272 (E_RNA)
where:
Base-Base interactions energy: -145.699
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.015
local terms energy: -62.695610
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.015 (S_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: 385
Temperature: 1.150000
Total energy: -204.546830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.546830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.783698 (E_RNA)
where:
Base-Base interactions energy: -144.001
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.085
local terms energy: -60.697517
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -197.420438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.420438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.584815 (E_RNA)
where:
Base-Base interactions energy: -140.062
where: short stacking energy: -57.553
Base-Backbone interact. energy: -0.883
local terms energy: -56.639713
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.164 (S_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: 385
Temperature: 1.250000
Total energy: -202.203889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.203889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.233017 (E_RNA)
where:
Base-Base interactions energy: -145.728
where: short stacking energy: -63.561
Base-Backbone interact. energy: -0.018
local terms energy: -56.486827
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -181.322849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.322849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.395718 (E_RNA)
where:
Base-Base interactions energy: -135.759
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.841
local terms energy: -53.795288
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 9.073 (S_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: 385
Temperature: 1.350000
Total energy: -177.912489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.912489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.742429 (E_RNA)
where:
Base-Base interactions energy: -125.377
where: short stacking energy: -53.884
Base-Backbone interact. energy: -0.131
local terms energy: -60.233829
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 7.830 (S_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: 386
Temperature: 0.900000
Total energy: -239.654341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.654341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.715196 (E_RNA)
where:
Base-Base interactions energy: -170.903
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.005
local terms energy: -68.806882
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.061 (S_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: 386
Temperature: 0.950000
Total energy: -217.203452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.203452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.303355 (E_RNA)
where:
Base-Base interactions energy: -154.877
where: short stacking energy: -60.016
Base-Backbone interact. energy: -0.003
local terms energy: -62.422905
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.100 (S_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: -219.839386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.839386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.847118 (E_RNA)
where:
Base-Base interactions energy: -163.054
where: short stacking energy: -66.793
Base-Backbone interact. energy: -0.023
local terms energy: -56.769665
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -223.124794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124794 (E_RNA)
where:
Base-Base interactions energy: -159.256
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.005
local terms energy: -63.864207
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -204.659880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.659880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.764205 (E_RNA)
where:
Base-Base interactions energy: -141.643
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.013
local terms energy: -63.108121
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.104 (S_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: 386
Temperature: 1.150000
Total energy: -208.046095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.046095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.170369 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -66.300
Base-Backbone interact. energy: -0.001
local terms energy: -57.233267
where:
bonds (distance) C4'-P energy: -5.624
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -201.985431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002756 (E_RNA)
where:
Base-Base interactions energy: -154.409
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.028
local terms energy: -47.565701
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.017 (S_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: 386
Temperature: 1.250000
Total energy: -199.483244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.483244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.556188 (E_RNA)
where:
Base-Base interactions energy: -138.760
where: short stacking energy: -53.575
Base-Backbone interact. energy: -0.138
local terms energy: -60.658297
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.073 (S_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: 386
Temperature: 1.300000
Total energy: -186.054368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.054368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637044 (E_RNA)
where:
Base-Base interactions energy: -136.740
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.295
local terms energy: -56.602738
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 7.583 (S_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: 386
Temperature: 1.350000
Total energy: -180.055087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.055087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.452709 (E_RNA)
where:
Base-Base interactions energy: -130.618
where: short stacking energy: -57.352
Base-Backbone interact. energy: 1.407
local terms energy: -59.242605
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 8.398 (S_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: 387
Temperature: 0.900000
Total energy: -234.251028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.251028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.385866 (E_RNA)
where:
Base-Base interactions energy: -175.844
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.004
local terms energy: -58.537685
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -0.545
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.135 (S_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: 387
Temperature: 0.950000
Total energy: -217.412383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.412383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507325 (E_RNA)
where:
Base-Base interactions energy: -157.466
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.004
local terms energy: -60.037794
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.095 (S_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: 387
Temperature: 1.000000
Total energy: -217.136677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.136677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.218033 (E_RNA)
where:
Base-Base interactions energy: -148.150
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.003
local terms energy: -69.065348
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -230.160779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.160779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.187396 (E_RNA)
where:
Base-Base interactions energy: -171.759
where: short stacking energy: -74.210
Base-Backbone interact. energy: -0.013
local terms energy: -58.415834
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.027 (S_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: 387
Temperature: 1.100000
Total energy: -210.813805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.813805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.868508 (E_RNA)
where:
Base-Base interactions energy: -147.669
where: short stacking energy: -64.107
Base-Backbone interact. energy: -0.038
local terms energy: -63.161073
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.055 (S_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: -207.517805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.517805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.618182 (E_RNA)
where:
Base-Base interactions energy: -145.309
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.158
local terms energy: -62.151817
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.100 (S_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: 387
Temperature: 1.200000
Total energy: -206.457898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.457898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.624925 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.287
local terms energy: -58.775615
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.167 (S_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: 387
Temperature: 1.250000
Total energy: -202.699438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.766383 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -54.658
Base-Backbone interact. energy: 0.003
local terms energy: -67.524027
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.067 (S_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: 387
Temperature: 1.300000
Total energy: -173.364190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.364190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.668271 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.073
local terms energy: -57.543632
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 9.304 (S_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: 387
Temperature: 1.350000
Total energy: -179.155309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.155309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.693415 (E_RNA)
where:
Base-Base interactions energy: -127.874
where: short stacking energy: -41.931
Base-Backbone interact. energy: -0.165
local terms energy: -57.655048
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 6.538 (S_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: 388
Temperature: 0.900000
Total energy: -228.401733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.401733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.519091 (E_RNA)
where:
Base-Base interactions energy: -167.911
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.030
local terms energy: -60.578253
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.117 (S_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: 388
Temperature: 0.950000
Total energy: -233.129843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.129843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.129843 (E_RNA)
where:
Base-Base interactions energy: -168.756
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.010
local terms energy: -64.363913
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -6.274
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: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -229.756125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.756125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.756125 (E_RNA)
where:
Base-Base interactions energy: -167.155
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.034
local terms energy: -62.566869
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -216.924849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.924849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.924849 (E_RNA)
where:
Base-Base interactions energy: -153.857
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.001
local terms energy: -63.066638
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -208.554635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.554635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.554635 (E_RNA)
where:
Base-Base interactions energy: -146.021
where: short stacking energy: -59.868
Base-Backbone interact. energy: -0.000
local terms energy: -62.533864
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -207.680536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.680536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.758492 (E_RNA)
where:
Base-Base interactions energy: -155.939
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.157
local terms energy: -51.662623
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.078 (S_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: 388
Temperature: 1.200000
Total energy: -206.357281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.357281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.412796 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -62.758
Base-Backbone interact. energy: -0.005
local terms energy: -64.295786
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.056 (S_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: 388
Temperature: 1.250000
Total energy: -206.422672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.422672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.538190 (E_RNA)
where:
Base-Base interactions energy: -142.592
where: short stacking energy: -62.556
Base-Backbone interact. energy: -0.007
local terms energy: -63.939309
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -176.679471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.679471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.661936 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -49.528
Base-Backbone interact. energy: -0.019
local terms energy: -56.874346
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 6.982 (S_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: 388
Temperature: 1.350000
Total energy: -172.200673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.200673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.143584 (E_RNA)
where:
Base-Base interactions energy: -121.663
where: short stacking energy: -51.642
Base-Backbone interact. energy: -0.833
local terms energy: -58.646783
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 8.943 (S_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: 389
Temperature: 0.900000
Total energy: -221.754769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.783012 (E_RNA)
where:
Base-Base interactions energy: -161.214
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.064
local terms energy: -60.505037
where:
bonds (distance) C4'-P energy: -6.749
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -227.142305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.142305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.187116 (E_RNA)
where:
Base-Base interactions energy: -163.152
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.571
local terms energy: -63.463953
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. 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: -224.807071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.865060 (E_RNA)
where:
Base-Base interactions energy: -169.855
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.166
local terms energy: -54.843677
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.058 (S_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: 389
Temperature: 1.050000
Total energy: -218.582521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.582521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.707685 (E_RNA)
where:
Base-Base interactions energy: -154.765
where: short stacking energy: -65.232
Base-Backbone interact. energy: -0.051
local terms energy: -63.891823
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.125 (S_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: 389
Temperature: 1.100000
Total energy: -207.799905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.799905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.931546 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -58.743
Base-Backbone interact. energy: 0.333
local terms energy: -63.307034
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.132 (S_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: 389
Temperature: 1.150000
Total energy: -215.091399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.126502 (E_RNA)
where:
Base-Base interactions energy: -164.265
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.082
local terms energy: -50.779784
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -0.929
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.035 (S_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: 389
Temperature: 1.200000
Total energy: -200.031465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.031465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060125 (E_RNA)
where:
Base-Base interactions energy: -152.418
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.158
local terms energy: -47.484439
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -1.286
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.029 (S_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: 389
Temperature: 1.250000
Total energy: -198.670994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.670994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.739865 (E_RNA)
where:
Base-Base interactions energy: -150.729
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.047
local terms energy: -47.963193
where:
bonds (distance) C4'-P energy: -7.256
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -184.404479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.404479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.257581 (E_RNA)
where:
Base-Base interactions energy: -133.997
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.002
local terms energy: -58.258279
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 7.853 (S_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: 389
Temperature: 1.350000
Total energy: -174.507146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.507146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.803161 (E_RNA)
where:
Base-Base interactions energy: -126.386
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.790
local terms energy: -57.626593
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 10.296 (S_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: 390
Temperature: 0.900000
Total energy: -234.264543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.264543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.334180 (E_RNA)
where:
Base-Base interactions energy: -170.756
where: short stacking energy: -68.391
Base-Backbone interact. energy: -0.011
local terms energy: -63.567856
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.070 (S_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: 390
Temperature: 0.950000
Total energy: -224.361157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.361157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409631 (E_RNA)
where:
Base-Base interactions energy: -156.023
where: short stacking energy: -59.815
Base-Backbone interact. energy: -0.346
local terms energy: -68.041087
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -221.530497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.530497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.611278 (E_RNA)
where:
Base-Base interactions energy: -160.478
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.035
local terms energy: -61.098934
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -227.159435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.159435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.243932 (E_RNA)
where:
Base-Base interactions energy: -163.589
where: short stacking energy: -69.555
Base-Backbone interact. energy: -0.002
local terms energy: -63.653232
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.084 (S_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: 390
Temperature: 1.100000
Total energy: -204.695843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.695843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728227 (E_RNA)
where:
Base-Base interactions energy: -144.938
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.285
local terms energy: -59.505143
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.032 (S_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: 390
Temperature: 1.150000
Total energy: -208.461270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.461270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.579737 (E_RNA)
where:
Base-Base interactions energy: -151.564
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.043
local terms energy: -56.972706
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.118 (S_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: 390
Temperature: 1.200000
Total energy: -196.168472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.168472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.211788 (E_RNA)
where:
Base-Base interactions energy: -136.020
where: short stacking energy: -56.207
Base-Backbone interact. energy: 0.624
local terms energy: -60.815893
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.043 (S_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: 390
Temperature: 1.250000
Total energy: -196.314388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.314388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.389936 (E_RNA)
where:
Base-Base interactions energy: -136.976
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.044
local terms energy: -59.369974
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -177.174364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.174364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.034470 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -50.140
Base-Backbone interact. energy: -0.037
local terms energy: -62.890209
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 6.860 (S_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: 390
Temperature: 1.350000
Total energy: -176.842007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.842007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.465657 (E_RNA)
where:
Base-Base interactions energy: -130.260
where: short stacking energy: -57.621
Base-Backbone interact. energy: 0.891
local terms energy: -57.096478
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -8.710
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 9.624 (S_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: 391
Temperature: 0.900000
Total energy: -236.299366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.299366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.458303 (E_RNA)
where:
Base-Base interactions energy: -171.562
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.082
local terms energy: -64.813730
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -217.295751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.295751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.401825 (E_RNA)
where:
Base-Base interactions energy: -148.598
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.084
local terms energy: -68.720198
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -211.954027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.954027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.964022 (E_RNA)
where:
Base-Base interactions energy: -145.093
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.016
local terms energy: -66.854786
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.010 (S_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: 391
Temperature: 1.050000
Total energy: -206.561502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.561502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.601689 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.049
local terms energy: -59.516126
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -211.137808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.137808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.145903 (E_RNA)
where:
Base-Base interactions energy: -155.510
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.012
local terms energy: -55.624717
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.008 (S_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: 391
Temperature: 1.150000
Total energy: -202.268551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.268551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.374037 (E_RNA)
where:
Base-Base interactions energy: -140.763
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.087
local terms energy: -61.524106
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.105 (S_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: 391
Temperature: 1.200000
Total energy: -205.416773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.416773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.577620 (E_RNA)
where:
Base-Base interactions energy: -138.787
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.005
local terms energy: -66.785967
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -183.556089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.556089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.494760 (E_RNA)
where:
Base-Base interactions energy: -134.123
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.074
local terms energy: -56.297882
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 6.939 (S_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: 391
Temperature: 1.300000
Total energy: -202.344276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.344276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.360595 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.002
local terms energy: -57.245162
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -9.022
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.016 (S_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: 391
Temperature: 1.350000
Total energy: -180.702692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.702692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.596031 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -49.787
Base-Backbone interact. energy: -0.434
local terms energy: -56.360246
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -8.377
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 7.893 (S_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: 392
Temperature: 0.900000
Total energy: -218.206105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.206105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.307227 (E_RNA)
where:
Base-Base interactions energy: -148.991
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.411
local terms energy: -68.904489
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.101 (S_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: 392
Temperature: 0.950000
Total energy: -228.560497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.560497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.601259 (E_RNA)
where:
Base-Base interactions energy: -161.526
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.334
local terms energy: -66.741934
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -211.168256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.168256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196506 (E_RNA)
where:
Base-Base interactions energy: -142.726
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.013
local terms energy: -68.458210
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -214.400712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.400712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.501130 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -62.010
Base-Backbone interact. energy: -0.005
local terms energy: -61.759741
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -6.139
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.100 (S_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: 392
Temperature: 1.100000
Total energy: -211.332718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.332718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.335984 (E_RNA)
where:
Base-Base interactions energy: -148.430
where: short stacking energy: -62.548
Base-Backbone interact. energy: -0.012
local terms energy: -62.893396
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.003 (S_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: 392
Temperature: 1.150000
Total energy: -203.325183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.325183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.515571 (E_RNA)
where:
Base-Base interactions energy: -141.830
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.001
local terms energy: -61.684033
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.190 (S_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: 392
Temperature: 1.200000
Total energy: -204.929145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.929145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.176184 (E_RNA)
where:
Base-Base interactions energy: -137.103
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.260
local terms energy: -67.813488
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -183.103085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.103085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.427485 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -61.199
Base-Backbone interact. energy: 1.047
local terms energy: -61.005521
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 8.324 (S_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: 392
Temperature: 1.300000
Total energy: -189.706372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706550 (E_RNA)
where:
Base-Base interactions energy: -136.522
where: short stacking energy: -53.503
Base-Backbone interact. energy: -0.127
local terms energy: -53.058067
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -7.810
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -177.245904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.245904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.248088 (E_RNA)
where:
Base-Base interactions energy: -128.543
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.002
local terms energy: -56.703380
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 8.002 (S_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: 393
Temperature: 0.900000
Total energy: -217.404678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.404678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.407614 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.085
local terms energy: -68.642108
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.003 (S_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: 393
Temperature: 0.950000
Total energy: -221.037431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.037431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.040072 (E_RNA)
where:
Base-Base interactions energy: -159.815
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.255
local terms energy: -60.970277
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -214.658514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.658514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.658514 (E_RNA)
where:
Base-Base interactions energy: -150.223
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.001
local terms energy: -64.434975
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.293
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: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -212.023362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.023362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.137177 (E_RNA)
where:
Base-Base interactions energy: -149.467
where: short stacking energy: -61.329
Base-Backbone interact. energy: 0.680
local terms energy: -63.350334
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.114 (S_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: 393
Temperature: 1.100000
Total energy: -211.425552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.425552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.488134 (E_RNA)
where:
Base-Base interactions energy: -150.964
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.016
local terms energy: -60.507905
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.063 (S_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: 393
Temperature: 1.150000
Total energy: -210.551780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.586317 (E_RNA)
where:
Base-Base interactions energy: -160.668
where: short stacking energy: -62.041
Base-Backbone interact. energy: -0.748
local terms energy: -49.170788
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -206.173270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.173270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.204341 (E_RNA)
where:
Base-Base interactions energy: -146.377
where: short stacking energy: -52.412
Base-Backbone interact. energy: -0.260
local terms energy: -59.567347
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.031 (S_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: 393
Temperature: 1.250000
Total energy: -206.056258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.199891 (E_RNA)
where:
Base-Base interactions energy: -149.694
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.007
local terms energy: -56.498525
where:
bonds (distance) C4'-P energy: -7.067
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.144 (S_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: 393
Temperature: 1.300000
Total energy: -170.603240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.603240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.183912 (E_RNA)
where:
Base-Base interactions energy: -124.234
where: short stacking energy: -53.143
Base-Backbone interact. energy: -0.006
local terms energy: -55.943960
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 9.581 (S_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: 393
Temperature: 1.350000
Total energy: -178.675629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.675629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.253179 (E_RNA)
where:
Base-Base interactions energy: -127.862
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.637
local terms energy: -59.754291
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 9.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -235.065610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.065610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.065610 (E_RNA)
where:
Base-Base interactions energy: -174.864
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.013
local terms energy: -60.188986
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -216.964655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.964655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.990130 (E_RNA)
where:
Base-Base interactions energy: -157.145
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.366
local terms energy: -59.478560
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -220.354846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.354846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.409210 (E_RNA)
where:
Base-Base interactions energy: -165.756
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.252
local terms energy: -54.401161
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.054 (S_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: 394
Temperature: 1.050000
Total energy: -217.104607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.104607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.136550 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.148
local terms energy: -63.869330
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.032 (S_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: 394
Temperature: 1.100000
Total energy: -209.113637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.113637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172371 (E_RNA)
where:
Base-Base interactions energy: -144.875
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.097
local terms energy: -64.201023
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.059 (S_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: 394
Temperature: 1.150000
Total energy: -205.666219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.666219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.759138 (E_RNA)
where:
Base-Base interactions energy: -149.194
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.003
local terms energy: -56.561637
where:
bonds (distance) C4'-P energy: -6.778
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.093 (S_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: 394
Temperature: 1.200000
Total energy: -204.596200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.596200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.596200 (E_RNA)
where:
Base-Base interactions energy: -145.369
where: short stacking energy: -56.703
Base-Backbone interact. energy: -0.047
local terms energy: -59.180587
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -14.165
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: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -196.739932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.739932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.887707 (E_RNA)
where:
Base-Base interactions energy: -141.184
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.007
local terms energy: -55.696951
where:
bonds (distance) C4'-P energy: -4.952
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -184.714829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.714829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.753154 (E_RNA)
where:
Base-Base interactions energy: -136.932
where: short stacking energy: -64.927
Base-Backbone interact. energy: 0.683
local terms energy: -56.504085
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 8.038 (S_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: 394
Temperature: 1.350000
Total energy: -189.572515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.572515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.299736 (E_RNA)
where:
Base-Base interactions energy: -134.487
where: short stacking energy: -59.906
Base-Backbone interact. energy: 0.017
local terms energy: -62.829924
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 7.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -237.877961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.877961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.914939 (E_RNA)
where:
Base-Base interactions energy: -171.861
where: short stacking energy: -71.393
Base-Backbone interact. energy: -0.297
local terms energy: -65.756224
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.037 (S_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: 395
Temperature: 0.950000
Total energy: -220.789390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.789390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.790908 (E_RNA)
where:
Base-Base interactions energy: -156.816
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.010
local terms energy: -63.965106
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -222.897727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.897727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.924253 (E_RNA)
where:
Base-Base interactions energy: -151.204
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.058
local terms energy: -71.662036
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -214.907641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.907641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.984466 (E_RNA)
where:
Base-Base interactions energy: -155.627
where: short stacking energy: -58.997
Base-Backbone interact. energy: -0.087
local terms energy: -59.270695
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.077 (S_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: 395
Temperature: 1.100000
Total energy: -210.990505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.020200 (E_RNA)
where:
Base-Base interactions energy: -151.490
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.060
local terms energy: -59.470891
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -200.679502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.679502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.717381 (E_RNA)
where:
Base-Base interactions energy: -133.784
where: short stacking energy: -53.397
Base-Backbone interact. energy: -0.089
local terms energy: -66.844386
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.038 (S_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: 395
Temperature: 1.200000
Total energy: -198.510904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.510904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.522371 (E_RNA)
where:
Base-Base interactions energy: -141.310
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.062
local terms energy: -57.150473
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -208.258393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.258393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.276423 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -57.999
Base-Backbone interact. energy: -0.020
local terms energy: -66.317204
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.018 (S_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: -181.694787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.694787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.131451 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.016
local terms energy: -53.668168
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -8.251
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 8.437 (S_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: 395
Temperature: 1.350000
Total energy: -171.191049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.191049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.995245 (E_RNA)
where:
Base-Base interactions energy: -128.089
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.330
local terms energy: -50.576194
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 7.804 (S_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: 396
Temperature: 0.900000
Total energy: -224.472950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.472950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.544660 (E_RNA)
where:
Base-Base interactions energy: -160.318
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.000
local terms energy: -64.226115
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.072 (S_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: 396
Temperature: 0.950000
Total energy: -232.148783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.148783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.173774 (E_RNA)
where:
Base-Base interactions energy: -168.976
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.044
local terms energy: -63.153708
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -6.558
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -228.846524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.846524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.876532 (E_RNA)
where:
Base-Base interactions energy: -166.055
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.000
local terms energy: -62.821869
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.030 (S_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: -204.199733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.199733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.361701 (E_RNA)
where:
Base-Base interactions energy: -144.882
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.115
local terms energy: -59.365100
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -212.835344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.835344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.876910 (E_RNA)
where:
Base-Base interactions energy: -147.792
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.408
local terms energy: -64.677023
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -206.021706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.021706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.047803 (E_RNA)
where:
Base-Base interactions energy: -142.230
where: short stacking energy: -55.381
Base-Backbone interact. energy: 0.302
local terms energy: -64.119979
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -197.330075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.330075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.523420 (E_RNA)
where:
Base-Base interactions energy: -140.887
where: short stacking energy: -53.167
Base-Backbone interact. energy: -0.011
local terms energy: -56.625071
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -197.341358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.341358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.497429 (E_RNA)
where:
Base-Base interactions energy: -133.321
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.072
local terms energy: -64.103943
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -178.388683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.388683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.878508 (E_RNA)
where:
Base-Base interactions energy: -128.557
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.043
local terms energy: -56.279122
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 6.490 (S_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: 396
Temperature: 1.350000
Total energy: -170.482375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.482375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.109566 (E_RNA)
where:
Base-Base interactions energy: -119.379
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.000
local terms energy: -58.729891
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 7.627 (S_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: 397
Temperature: 0.900000
Total energy: -225.036737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.036737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.046464 (E_RNA)
where:
Base-Base interactions energy: -157.972
where: short stacking energy: -64.293
Base-Backbone interact. energy: -0.019
local terms energy: -67.055032
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.010 (S_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: 397
Temperature: 0.950000
Total energy: -233.023321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.023321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.127909 (E_RNA)
where:
Base-Base interactions energy: -170.350
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.488
local terms energy: -62.290001
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.105 (S_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: 397
Temperature: 1.000000
Total energy: -227.555088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.555088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.555088 (E_RNA)
where:
Base-Base interactions energy: -166.077
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.285
local terms energy: -61.193145
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -208.317415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.317415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474467 (E_RNA)
where:
Base-Base interactions energy: -142.942
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.076
local terms energy: -65.455906
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -211.790836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.863114 (E_RNA)
where:
Base-Base interactions energy: -146.477
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.255
local terms energy: -65.130228
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -203.980788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.980788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.190563 (E_RNA)
where:
Base-Base interactions energy: -137.326
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.007
local terms energy: -66.857382
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -197.128475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.128475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.309845 (E_RNA)
where:
Base-Base interactions energy: -135.921
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.352
local terms energy: -61.037250
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -183.174147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.174147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.074099 (E_RNA)
where:
Base-Base interactions energy: -133.899
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.466
local terms energy: -55.709618
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 6.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -202.553973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.553973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.736427 (E_RNA)
where:
Base-Base interactions energy: -151.122
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.025
local terms energy: -51.590166
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.182 (S_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: 397
Temperature: 1.350000
Total energy: -174.958479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.958479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.750069 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.000
local terms energy: -49.474233
where:
bonds (distance) C4'-P energy: -4.224
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 6.792 (S_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: 398
Temperature: 0.900000
Total energy: -234.377592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.377592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.379356 (E_RNA)
where:
Base-Base interactions energy: -168.660
where: short stacking energy: -67.139
Base-Backbone interact. energy: -0.020
local terms energy: -65.699435
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.002 (S_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: 398
Temperature: 0.950000
Total energy: -232.578518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.578518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.626857 (E_RNA)
where:
Base-Base interactions energy: -170.616
where: short stacking energy: -69.034
Base-Backbone interact. energy: -0.007
local terms energy: -62.003482
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.048 (S_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: 398
Temperature: 1.000000
Total energy: -212.522230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.522230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.557298 (E_RNA)
where:
Base-Base interactions energy: -148.375
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.014
local terms energy: -64.168320
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.035 (S_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: 398
Temperature: 1.050000
Total energy: -217.422756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.536350 (E_RNA)
where:
Base-Base interactions energy: -157.224
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.723
local terms energy: -59.589012
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -207.934559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.934559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.014772 (E_RNA)
where:
Base-Base interactions energy: -144.777
where: short stacking energy: -57.163
Base-Backbone interact. energy: -0.004
local terms energy: -63.233951
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.080 (S_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: 398
Temperature: 1.150000
Total energy: -205.371320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.371320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.371320 (E_RNA)
where:
Base-Base interactions energy: -148.818
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.034
local terms energy: -56.518958
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -6.571
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -14.427
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: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -202.697178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.697178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.697178 (E_RNA)
where:
Base-Base interactions energy: -147.209
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.005
local terms energy: -55.482519
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -194.997472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.997472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.934085 (E_RNA)
where:
Base-Base interactions energy: -143.349
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.232
local terms energy: -59.353861
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 7.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -192.997842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.200303 (E_RNA)
where:
Base-Base interactions energy: -138.117
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.136
local terms energy: -54.947031
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.202 (S_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: 398
Temperature: 1.350000
Total energy: -169.819675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.819675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.931496 (E_RNA)
where:
Base-Base interactions energy: -116.365
where: short stacking energy: -47.600
Base-Backbone interact. energy: -1.059
local terms energy: -60.507151
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 8.112 (S_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: 399
Temperature: 0.900000
Total energy: -235.283355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.283355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.309811 (E_RNA)
where:
Base-Base interactions energy: -169.881
where: short stacking energy: -70.392
Base-Backbone interact. energy: -0.040
local terms energy: -65.388525
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.026 (S_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: 399
Temperature: 0.950000
Total energy: -229.341839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.341839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.423167 (E_RNA)
where:
Base-Base interactions energy: -170.654
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.021
local terms energy: -58.747834
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.081 (S_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: 399
Temperature: 1.000000
Total energy: -216.438444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.481548 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.069
local terms energy: -66.965066
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.043 (S_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: 399
Temperature: 1.050000
Total energy: -213.892462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.892462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.896195 (E_RNA)
where:
Base-Base interactions energy: -149.689
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.004
local terms energy: -64.202351
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -208.885231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.885231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.900528 (E_RNA)
where:
Base-Base interactions energy: -148.557
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.060
local terms energy: -60.284090
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.015 (S_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: 399
Temperature: 1.150000
Total energy: -205.642664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.642664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.672578 (E_RNA)
where:
Base-Base interactions energy: -147.597
where: short stacking energy: -62.530
Base-Backbone interact. energy: 1.746
local terms energy: -59.820988
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -198.984719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.984719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.007793 (E_RNA)
where:
Base-Base interactions energy: -137.390
where: short stacking energy: -56.785
Base-Backbone interact. energy: -0.407
local terms energy: -61.210922
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -201.588046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.588046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.610623 (E_RNA)
where:
Base-Base interactions energy: -143.103
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.712
local terms energy: -57.795555
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -7.366
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.023 (S_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: 399
Temperature: 1.300000
Total energy: -177.750712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.719015 (E_RNA)
where:
Base-Base interactions energy: -136.262
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.631
local terms energy: -48.826239
where:
bonds (distance) C4'-P energy: -4.390
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 7.968 (S_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: 399
Temperature: 1.350000
Total energy: -168.280188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.280188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.993089 (E_RNA)
where:
Base-Base interactions energy: -121.655
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.546
local terms energy: -52.792393
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 6.713 (S_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: 400
Temperature: 0.900000
Total energy: -232.708499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.708499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.709949 (E_RNA)
where:
Base-Base interactions energy: -163.820
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.001
local terms energy: -68.888856
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.001 (S_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: 400
Temperature: 0.950000
Total energy: -237.954774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.954774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.125402 (E_RNA)
where:
Base-Base interactions energy: -172.869
where: short stacking energy: -70.852
Base-Backbone interact. energy: -0.198
local terms energy: -65.059118
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.171 (S_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: 400
Temperature: 1.000000
Total energy: -210.330354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.330354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.330354 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -59.350
Base-Backbone interact. energy: -0.002
local terms energy: -66.371334
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -14.575
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -210.858397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.858397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.934984 (E_RNA)
where:
Base-Base interactions energy: -148.116
where: short stacking energy: -57.907
Base-Backbone interact. energy: 0.440
local terms energy: -63.259306
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -204.803390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806121 (E_RNA)
where:
Base-Base interactions energy: -139.358
where: short stacking energy: -53.683
Base-Backbone interact. energy: -0.003
local terms energy: -65.445894
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -208.331763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.331763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.454051 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -63.027
Base-Backbone interact. energy: 0.018
local terms energy: -61.054530
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.122 (S_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: 400
Temperature: 1.200000
Total energy: -204.440012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.440012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.497863 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.297
local terms energy: -57.081244
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -201.559087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.578960 (E_RNA)
where:
Base-Base interactions energy: -145.931
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.079
local terms energy: -55.569504
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -176.467873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.467873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.579109 (E_RNA)
where:
Base-Base interactions energy: -129.165
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.007
local terms energy: -54.406464
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 7.111 (S_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: 400
Temperature: 1.350000
Total energy: -177.852511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.852511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.256642 (E_RNA)
where:
Base-Base interactions energy: -128.032
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.120
local terms energy: -57.104800
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 7.404 (S_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: 401
Temperature: 0.900000
Total energy: -232.207061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.207061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.241682 (E_RNA)
where:
Base-Base interactions energy: -173.819
where: short stacking energy: -70.579
Base-Backbone interact. energy: -0.576
local terms energy: -57.846328
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -0.519
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.035 (S_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: 401
Temperature: 0.950000
Total energy: -227.602903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.602903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.628721 (E_RNA)
where:
Base-Base interactions energy: -166.948
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.350
local terms energy: -60.329889
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.026 (S_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: 401
Temperature: 1.000000
Total energy: -221.085024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.085024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.085024 (E_RNA)
where:
Base-Base interactions energy: -162.020
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.000
local terms energy: -59.065155
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -208.377113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.377113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.396194 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.003
local terms energy: -64.662266
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -211.264752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.264752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.376851 (E_RNA)
where:
Base-Base interactions energy: -155.135
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.273
local terms energy: -55.968209
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -217.007260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.007260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.087319 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.001
local terms energy: -68.245466
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.080 (S_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: 401
Temperature: 1.200000
Total energy: -211.536867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.544351 (E_RNA)
where:
Base-Base interactions energy: -149.272
where: short stacking energy: -67.440
Base-Backbone interact. energy: -0.001
local terms energy: -62.271879
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. 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: -195.613883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.613883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719285 (E_RNA)
where:
Base-Base interactions energy: -138.603
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.006
local terms energy: -57.110022
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -191.570642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.570642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.930602 (E_RNA)
where:
Base-Base interactions energy: -138.293
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.157
local terms energy: -60.480653
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 7.360 (S_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: 401
Temperature: 1.350000
Total energy: -177.578100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.347562 (E_RNA)
where:
Base-Base interactions energy: -123.892
where: short stacking energy: -52.271
Base-Backbone interact. energy: -1.514
local terms energy: -60.941518
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 8.769 (S_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: 402
Temperature: 0.900000
Total energy: -223.230346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.230346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.275835 (E_RNA)
where:
Base-Base interactions energy: -156.291
where: short stacking energy: -66.272
Base-Backbone interact. energy: -0.110
local terms energy: -66.874809
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.045 (S_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: 402
Temperature: 0.950000
Total energy: -231.080111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.080111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.080111 (E_RNA)
where:
Base-Base interactions energy: -169.316
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.053
local terms energy: -61.710221
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -4.283
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: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -221.617063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654573 (E_RNA)
where:
Base-Base interactions energy: -157.859
where: short stacking energy: -62.010
Base-Backbone interact. energy: -0.011
local terms energy: -63.784774
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.038 (S_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: 402
Temperature: 1.050000
Total energy: -208.808054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.889591 (E_RNA)
where:
Base-Base interactions energy: -144.959
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.001
local terms energy: -63.929448
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -218.404303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.404303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.463829 (E_RNA)
where:
Base-Base interactions energy: -152.456
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.060
local terms energy: -65.947921
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -204.935849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.935849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.967334 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.042
local terms energy: -61.696203
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -204.766335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.766335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.011999 (E_RNA)
where:
Base-Base interactions energy: -136.010
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.019
local terms energy: -68.982337
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -197.083297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.083297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209526 (E_RNA)
where:
Base-Base interactions energy: -142.720
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.002
local terms energy: -54.487775
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.126 (S_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: 402
Temperature: 1.300000
Total energy: -180.750590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.750590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.364364 (E_RNA)
where:
Base-Base interactions energy: -135.716
where: short stacking energy: -54.527
Base-Backbone interact. energy: -1.183
local terms energy: -50.464973
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 6.614 (S_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: 402
Temperature: 1.350000
Total energy: -175.094938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.094938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.817104 (E_RNA)
where:
Base-Base interactions energy: -122.530
where: short stacking energy: -56.205
Base-Backbone interact. energy: -1.154
local terms energy: -59.134027
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 7.722 (S_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: 403
Temperature: 0.900000
Total energy: -221.650594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.650594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.805428 (E_RNA)
where:
Base-Base interactions energy: -159.317
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.002
local terms energy: -62.486136
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.155 (S_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: 403
Temperature: 0.950000
Total energy: -229.648215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.648215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.763899 (E_RNA)
where:
Base-Base interactions energy: -162.417
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.003
local terms energy: -67.344218
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -228.328383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.328383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.408690 (E_RNA)
where:
Base-Base interactions energy: -166.855
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.004
local terms energy: -61.549316
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -203.471298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.471298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745266 (E_RNA)
where:
Base-Base interactions energy: -139.698
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.104
local terms energy: -63.942765
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.274 (S_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: -206.841813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.841813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856877 (E_RNA)
where:
Base-Base interactions energy: -145.532
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.005
local terms energy: -61.320350
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -208.458461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.458461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.650077 (E_RNA)
where:
Base-Base interactions energy: -149.562
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.379
local terms energy: -58.708654
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.192 (S_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: 403
Temperature: 1.200000
Total energy: -202.551356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.551356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.557876 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.055
local terms energy: -59.840805
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -201.578316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.578316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.670555 (E_RNA)
where:
Base-Base interactions energy: -150.168
where: short stacking energy: -52.882
Base-Backbone interact. energy: 1.165
local terms energy: -52.666792
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.092 (S_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: 403
Temperature: 1.300000
Total energy: -173.583452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.583452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.689607 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -54.576
Base-Backbone interact. energy: -0.011
local terms energy: -56.367337
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 9.106 (S_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: 403
Temperature: 1.350000
Total energy: -167.545480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.545480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.821407 (E_RNA)
where:
Base-Base interactions energy: -121.846
where: short stacking energy: -50.335
Base-Backbone interact. energy: -0.081
local terms energy: -52.894521
where:
bonds (distance) C4'-P energy: -6.841
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 7.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -220.599071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.622084 (E_RNA)
where:
Base-Base interactions energy: -159.124
where: short stacking energy: -60.616
Base-Backbone interact. energy: 0.839
local terms energy: -62.336512
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.023 (S_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: 404
Temperature: 0.950000
Total energy: -228.521071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.521071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.546035 (E_RNA)
where:
Base-Base interactions energy: -168.960
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.619
local terms energy: -58.966708
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.025 (S_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: 404
Temperature: 1.000000
Total energy: -225.647496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.647496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.713586 (E_RNA)
where:
Base-Base interactions energy: -163.431
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.024
local terms energy: -62.258628
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -204.068475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.068475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.150379 (E_RNA)
where:
Base-Base interactions energy: -140.235
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.006
local terms energy: -63.909485
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -204.964316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.964316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.040158 (E_RNA)
where:
Base-Base interactions energy: -144.242
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.002
local terms energy: -60.796235
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.076 (S_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: 404
Temperature: 1.150000
Total energy: -208.322699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.322699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322699 (E_RNA)
where:
Base-Base interactions energy: -141.640
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.012
local terms energy: -66.670255
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.942
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -212.794772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.794772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856521 (E_RNA)
where:
Base-Base interactions energy: -155.158
where: short stacking energy: -57.061
Base-Backbone interact. energy: -0.133
local terms energy: -57.565291
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.062 (S_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: 404
Temperature: 1.250000
Total energy: -201.333101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.333101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.431865 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -58.095
Base-Backbone interact. energy: -0.006
local terms energy: -56.894617
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -184.173470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.173470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.797169 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -56.156
Base-Backbone interact. energy: -0.395
local terms energy: -54.317026
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 8.624 (S_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: 404
Temperature: 1.350000
Total energy: -165.037510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.037510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.601741 (E_RNA)
where:
Base-Base interactions energy: -127.394
where: short stacking energy: -55.269
Base-Backbone interact. energy: 0.708
local terms energy: -44.915547
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -10.679
Dist. restrs. and SS energy: 6.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -222.752134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.752134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.873966 (E_RNA)
where:
Base-Base interactions energy: -155.010
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.114
local terms energy: -67.750078
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.122 (S_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: 405
Temperature: 0.950000
Total energy: -223.395152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395152 (E_RNA)
where:
Base-Base interactions energy: -159.145
where: short stacking energy: -63.233
Base-Backbone interact. energy: -0.011
local terms energy: -64.238521
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -221.846291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.897509 (E_RNA)
where:
Base-Base interactions energy: -161.619
where: short stacking energy: -64.974
Base-Backbone interact. energy: -0.714
local terms energy: -59.565382
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -214.257311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.257311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432401 (E_RNA)
where:
Base-Base interactions energy: -154.563
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.123
local terms energy: -59.747166
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -200.353873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.353873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.407787 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.007
local terms energy: -60.671436
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -204.783728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.783728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.838617 (E_RNA)
where:
Base-Base interactions energy: -145.890
where: short stacking energy: -64.422
Base-Backbone interact. energy: 0.199
local terms energy: -59.146911
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -5.772
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.055 (S_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: 405
Temperature: 1.200000
Total energy: -195.537011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.537011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.763909 (E_RNA)
where:
Base-Base interactions energy: -136.723
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.245
local terms energy: -58.795971
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.227 (S_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: 405
Temperature: 1.250000
Total energy: -204.995326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.995326 (E_RNA)
where:
Base-Base interactions energy: -148.409
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.122
local terms energy: -56.464004
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -14.063
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: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -187.043886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.043886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.503897 (E_RNA)
where:
Base-Base interactions energy: -139.468
where: short stacking energy: -56.810
Base-Backbone interact. energy: 1.756
local terms energy: -57.792644
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 8.460 (S_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: 405
Temperature: 1.350000
Total energy: -173.259721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.259721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.902876 (E_RNA)
where:
Base-Base interactions energy: -128.848
where: short stacking energy: -55.581
Base-Backbone interact. energy: -0.598
local terms energy: -51.457335
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 7.643 (S_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: 406
Temperature: 0.900000
Total energy: -223.237002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.237002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.251332 (E_RNA)
where:
Base-Base interactions energy: -156.386
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.009
local terms energy: -66.855796
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -218.401133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.401133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.447936 (E_RNA)
where:
Base-Base interactions energy: -157.285
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.000
local terms energy: -61.162926
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -213.413909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.413909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534918 (E_RNA)
where:
Base-Base interactions energy: -147.099
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.000
local terms energy: -66.435736
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -209.395409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.395409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.395409 (E_RNA)
where:
Base-Base interactions energy: -149.208
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.003
local terms energy: -60.184420
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -7.431
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -201.701764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.701764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.849453 (E_RNA)
where:
Base-Base interactions energy: -138.827
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.609
local terms energy: -62.414306
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.148 (S_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: 406
Temperature: 1.150000
Total energy: -210.468659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.468659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.520196 (E_RNA)
where:
Base-Base interactions energy: -156.786
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.122
local terms energy: -53.612184
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.052 (S_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: 406
Temperature: 1.200000
Total energy: -206.099316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.099316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.213842 (E_RNA)
where:
Base-Base interactions energy: -147.158
where: short stacking energy: -55.069
Base-Backbone interact. energy: -0.036
local terms energy: -59.019672
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -200.507504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.507504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.644412 (E_RNA)
where:
Base-Base interactions energy: -150.987
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.055
local terms energy: -49.602513
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -1.891
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.137 (S_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: 406
Temperature: 1.300000
Total energy: -181.690084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.690084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.444762 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -62.532
Base-Backbone interact. energy: -0.057
local terms energy: -51.525754
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 7.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -167.280777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.280777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161966 (E_RNA)
where:
Base-Base interactions energy: -121.259
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.140
local terms energy: -53.763028
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 7.881 (S_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: 407
Temperature: 0.900000
Total energy: -221.757361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.757361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.761517 (E_RNA)
where:
Base-Base interactions energy: -165.207
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.445
local terms energy: -56.109742
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -218.192883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.192883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300641 (E_RNA)
where:
Base-Base interactions energy: -154.422
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.000
local terms energy: -63.878166
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -218.397684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.397684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.494553 (E_RNA)
where:
Base-Base interactions energy: -151.101
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.001
local terms energy: -67.392648
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -214.907181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.907181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.907181 (E_RNA)
where:
Base-Base interactions energy: -160.928
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.022
local terms energy: -53.956856
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -17.844
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: 407
Temperature: 1.100000
Total energy: -207.930749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.930749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.965720 (E_RNA)
where:
Base-Base interactions energy: -144.541
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.033
local terms energy: -63.392111
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.035 (S_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: 407
Temperature: 1.150000
Total energy: -204.181348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.181348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.206908 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.001
local terms energy: -63.516039
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -207.193978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.193978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.258777 (E_RNA)
where:
Base-Base interactions energy: -142.083
where: short stacking energy: -55.377
Base-Backbone interact. energy: -0.499
local terms energy: -64.676755
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.065 (S_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: 407
Temperature: 1.250000
Total energy: -177.893633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.893633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.253579 (E_RNA)
where:
Base-Base interactions energy: -127.120
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.038
local terms energy: -60.095519
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 9.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -189.352153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.352153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.353357 (E_RNA)
where:
Base-Base interactions energy: -136.162
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.105
local terms energy: -53.086417
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -173.327748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.327748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.376367 (E_RNA)
where:
Base-Base interactions energy: -136.804
where: short stacking energy: -52.955
Base-Backbone interact. energy: -0.720
local terms energy: -43.852536
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 8.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -221.842937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.842937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.867052 (E_RNA)
where:
Base-Base interactions energy: -151.756
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.002
local terms energy: -70.108917
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.024 (S_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: 408
Temperature: 0.950000
Total energy: -222.809480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.809480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.840229 (E_RNA)
where:
Base-Base interactions energy: -159.237
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.002
local terms energy: -63.601264
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -212.623753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.623753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.713275 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.008
local terms energy: -57.343505
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -211.365907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.365907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.940667 (E_RNA)
where:
Base-Base interactions energy: -145.328
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.006
local terms energy: -66.606828
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -209.606760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.606760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.784551 (E_RNA)
where:
Base-Base interactions energy: -156.601
where: short stacking energy: -62.341
Base-Backbone interact. energy: -0.161
local terms energy: -53.022538
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.178 (S_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: 408
Temperature: 1.150000
Total energy: -206.037975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.037975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.256559 (E_RNA)
where:
Base-Base interactions energy: -149.072
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.011
local terms energy: -57.173787
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -1.623
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -206.634869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.634869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.660463 (E_RNA)
where:
Base-Base interactions energy: -150.191
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.078
local terms energy: -56.391512
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -181.506963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.506963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484181 (E_RNA)
where:
Base-Base interactions energy: -134.419
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.106
local terms energy: -54.959201
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 7.977 (S_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: 408
Temperature: 1.300000
Total energy: -176.490473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.490473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.807199 (E_RNA)
where:
Base-Base interactions energy: -130.502
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.058
local terms energy: -53.247123
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 7.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -195.732987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.732987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.766063 (E_RNA)
where:
Base-Base interactions energy: -143.960
where: short stacking energy: -57.172
Base-Backbone interact. energy: 0.486
local terms energy: -52.291897
where:
bonds (distance) C4'-P energy: -5.827
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -216.775991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.775991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.775991 (E_RNA)
where:
Base-Base interactions energy: -154.518
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.294
local terms energy: -61.964479
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -7.905
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.881
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: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -218.050753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.050753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.065485 (E_RNA)
where:
Base-Base interactions energy: -151.252
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.291
local terms energy: -66.521918
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.015 (S_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: 409
Temperature: 1.000000
Total energy: -223.369812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.369812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.558623 (E_RNA)
where:
Base-Base interactions energy: -163.978
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.023
local terms energy: -59.558454
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.189 (S_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: 409
Temperature: 1.050000
Total energy: -209.189299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.189299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.202222 (E_RNA)
where:
Base-Base interactions energy: -148.766
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.216
local terms energy: -60.220302
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -206.294941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.294941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.422381 (E_RNA)
where:
Base-Base interactions energy: -138.540
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.000
local terms energy: -67.881766
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.127 (S_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: 409
Temperature: 1.150000
Total energy: -204.232038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.232038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.406508 (E_RNA)
where:
Base-Base interactions energy: -138.400
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.378
local terms energy: -65.628533
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.174 (S_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: 409
Temperature: 1.200000
Total energy: -217.446984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.446984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.484301 (E_RNA)
where:
Base-Base interactions energy: -153.967
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.023
local terms energy: -63.495115
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.037 (S_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: 409
Temperature: 1.250000
Total energy: -180.150247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.150247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.450112 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.014
local terms energy: -58.718692
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 6.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -180.481999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.481999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.561590 (E_RNA)
where:
Base-Base interactions energy: -133.098
where: short stacking energy: -55.742
Base-Backbone interact. energy: 0.181
local terms energy: -54.645161
where:
bonds (distance) C4'-P energy: -5.694
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 7.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -192.874735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.874735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.888343 (E_RNA)
where:
Base-Base interactions energy: -137.575
where: short stacking energy: -55.508
Base-Backbone interact. energy: -0.250
local terms energy: -55.063968
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -220.627241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627241 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.083
local terms energy: -69.493543
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -216.776061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.776061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.828753 (E_RNA)
where:
Base-Base interactions energy: -150.200
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.157
local terms energy: -66.471762
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.053 (S_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: 410
Temperature: 1.000000
Total energy: -225.792627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.792627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.806439 (E_RNA)
where:
Base-Base interactions energy: -156.643
where: short stacking energy: -64.234
Base-Backbone interact. energy: -0.037
local terms energy: -69.125935
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.014 (S_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: 410
Temperature: 1.050000
Total energy: -213.585674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.585674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.664455 (E_RNA)
where:
Base-Base interactions energy: -149.689
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.054
local terms energy: -63.920923
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -213.768967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.768967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.796095 (E_RNA)
where:
Base-Base interactions energy: -145.767
where: short stacking energy: -59.446
Base-Backbone interact. energy: 0.330
local terms energy: -68.359489
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.027 (S_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: 410
Temperature: 1.150000
Total energy: -200.231759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.231759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.257000 (E_RNA)
where:
Base-Base interactions energy: -145.774
where: short stacking energy: -53.063
Base-Backbone interact. energy: -0.122
local terms energy: -54.360835
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.025 (S_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: -213.576698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.576698 (E_RNA)
where:
Base-Base interactions energy: -148.809
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.001
local terms energy: -64.766182
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -6.738
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -175.882485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.882485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.331746 (E_RNA)
where:
Base-Base interactions energy: -127.344
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.434
local terms energy: -54.553657
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 6.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -200.525631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.525631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.680717 (E_RNA)
where:
Base-Base interactions energy: -138.740
where: short stacking energy: -54.433
Base-Backbone interact. energy: -0.007
local terms energy: -61.933523
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.155 (S_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: 410
Temperature: 1.350000
Total energy: -175.359875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.359875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.030055 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -51.776
Base-Backbone interact. energy: -0.227
local terms energy: -53.935277
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 5.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -218.940198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.940198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.982167 (E_RNA)
where:
Base-Base interactions energy: -150.446
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.650
local terms energy: -67.886746
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.042 (S_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: 411
Temperature: 0.950000
Total energy: -215.018350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.018350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.084068 (E_RNA)
where:
Base-Base interactions energy: -153.425
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.094
local terms energy: -61.565427
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -225.862759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.862759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.907332 (E_RNA)
where:
Base-Base interactions energy: -168.779
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.130
local terms energy: -56.997511
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. 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: -223.006875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.006875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.011710 (E_RNA)
where:
Base-Base interactions energy: -168.228
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.078
local terms energy: -54.705871
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -0.399
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -212.834388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.834388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.834388 (E_RNA)
where:
Base-Base interactions energy: -153.213
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.001
local terms energy: -59.620388
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -204.027170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.027170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.027170 (E_RNA)
where:
Base-Base interactions energy: -148.336
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.050
local terms energy: -55.640786
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -8.528
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -203.264006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.264006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.401767 (E_RNA)
where:
Base-Base interactions energy: -142.192
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.003
local terms energy: -61.206893
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -201.096633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.136437 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -51.674
Base-Backbone interact. energy: -0.218
local terms energy: -63.671150
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.040 (S_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: 411
Temperature: 1.300000
Total energy: -178.919322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.919322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.251877 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -56.858
Base-Backbone interact. energy: -0.576
local terms energy: -56.133113
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 7.333 (S_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: 411
Temperature: 1.350000
Total energy: -176.248069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.248069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.449860 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.016
local terms energy: -60.199558
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 7.202 (S_DIST_RNA)
chem. 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: -216.916862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.916862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.949329 (E_RNA)
where:
Base-Base interactions energy: -149.777
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.001
local terms energy: -67.171109
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.032 (S_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: 412
Temperature: 0.950000
Total energy: -216.112129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.112129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.232856 (E_RNA)
where:
Base-Base interactions energy: -161.788
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.016
local terms energy: -54.428731
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. 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: -228.388813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.388813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.512771 (E_RNA)
where:
Base-Base interactions energy: -160.408
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.001
local terms energy: -68.104340
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.124 (S_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: 412
Temperature: 1.050000
Total energy: -215.091833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.100169 (E_RNA)
where:
Base-Base interactions energy: -154.181
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.049
local terms energy: -60.870043
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -216.149733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.149733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.161246 (E_RNA)
where:
Base-Base interactions energy: -148.020
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.001
local terms energy: -68.140656
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.012 (S_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: 412
Temperature: 1.150000
Total energy: -205.826759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.826759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.839010 (E_RNA)
where:
Base-Base interactions energy: -145.668
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.001
local terms energy: -60.169573
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -204.144748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.144748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.196468 (E_RNA)
where:
Base-Base interactions energy: -147.248
where: short stacking energy: -62.571
Base-Backbone interact. energy: 0.339
local terms energy: -57.288370
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.052 (S_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: 412
Temperature: 1.250000
Total energy: -201.154313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.154313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.307338 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.289
local terms energy: -54.033566
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -8.262
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -12.026
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -178.575693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.575693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.378727 (E_RNA)
where:
Base-Base interactions energy: -130.150
where: short stacking energy: -55.578
Base-Backbone interact. energy: -0.431
local terms energy: -56.797203
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 8.803 (S_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: 412
Temperature: 1.350000
Total energy: -176.460928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.460928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.344453 (E_RNA)
where:
Base-Base interactions energy: -128.567
where: short stacking energy: -52.436
Base-Backbone interact. energy: -1.061
local terms energy: -54.715928
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -11.979
Dist. restrs. and SS energy: 7.884 (S_DIST_RNA)
chem. 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: -225.432814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.432814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.432814 (E_RNA)
where:
Base-Base interactions energy: -164.875
where: short stacking energy: -65.280
Base-Backbone interact. energy: 0.190
local terms energy: -60.747947
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -15.687
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: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -230.271919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.271919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.313275 (E_RNA)
where:
Base-Base interactions energy: -164.627
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.006
local terms energy: -65.680100
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.041 (S_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: 413
Temperature: 1.000000
Total energy: -218.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.299036 (E_RNA)
where:
Base-Base interactions energy: -157.874
where: short stacking energy: -61.709
Base-Backbone interact. energy: -0.074
local terms energy: -60.351011
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.193 (S_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: 413
Temperature: 1.050000
Total energy: -210.376217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.469518 (E_RNA)
where:
Base-Base interactions energy: -147.636
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.008
local terms energy: -62.825168
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -217.615526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.615526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.653078 (E_RNA)
where:
Base-Base interactions energy: -160.237
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.491
local terms energy: -56.924348
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.038 (S_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: 413
Temperature: 1.150000
Total energy: -203.875976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.875976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.969732 (E_RNA)
where:
Base-Base interactions energy: -144.208
where: short stacking energy: -55.575
Base-Backbone interact. energy: -0.016
local terms energy: -59.745364
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.094 (S_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: 413
Temperature: 1.200000
Total energy: -206.202393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.202393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.209686 (E_RNA)
where:
Base-Base interactions energy: -147.752
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.211
local terms energy: -58.246958
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -186.098060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.098060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.480768 (E_RNA)
where:
Base-Base interactions energy: -129.776
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.295
local terms energy: -64.409803
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 8.383 (S_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: 413
Temperature: 1.300000
Total energy: -199.361002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.361002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.383358 (E_RNA)
where:
Base-Base interactions energy: -142.848
where: short stacking energy: -59.329
Base-Backbone interact. energy: -0.003
local terms energy: -56.532276
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.022 (S_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: 413
Temperature: 1.350000
Total energy: -185.014476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.014476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.431170 (E_RNA)
where:
Base-Base interactions energy: -127.832
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.144
local terms energy: -64.455191
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 7.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -230.063331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.063331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.067137 (E_RNA)
where:
Base-Base interactions energy: -169.963
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.028
local terms energy: -60.077089
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.004 (S_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: 414
Temperature: 0.950000
Total energy: -227.163394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.163394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.341429 (E_RNA)
where:
Base-Base interactions energy: -168.392
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.002
local terms energy: -58.946701
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -0.835
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.178 (S_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: 414
Temperature: 1.000000
Total energy: -214.204946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.204946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.291686 (E_RNA)
where:
Base-Base interactions energy: -145.350
where: short stacking energy: -64.188
Base-Backbone interact. energy: -0.222
local terms energy: -68.718913
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.087 (S_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: 414
Temperature: 1.050000
Total energy: -216.461594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.461594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.660342 (E_RNA)
where:
Base-Base interactions energy: -155.593
where: short stacking energy: -58.301
Base-Backbone interact. energy: -0.044
local terms energy: -61.022788
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.199 (S_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: 414
Temperature: 1.100000
Total energy: -207.213000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.213000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.282312 (E_RNA)
where:
Base-Base interactions energy: -141.675
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.065
local terms energy: -65.542139
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.069 (S_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: 414
Temperature: 1.150000
Total energy: -202.319159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.319159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.380828 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -56.036
Base-Backbone interact. energy: 0.062
local terms energy: -63.554615
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.062 (S_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: 414
Temperature: 1.200000
Total energy: -204.285509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.285509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.313077 (E_RNA)
where:
Base-Base interactions energy: -142.577
where: short stacking energy: -55.418
Base-Backbone interact. energy: -0.177
local terms energy: -61.559385
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -186.277684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.277684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.183896 (E_RNA)
where:
Base-Base interactions energy: -134.106
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.014
local terms energy: -60.064290
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 7.906 (S_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: 414
Temperature: 1.300000
Total energy: -182.085091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.539387 (E_RNA)
where:
Base-Base interactions energy: -138.032
where: short stacking energy: -57.139
Base-Backbone interact. energy: -0.009
local terms energy: -51.499059
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 7.454 (S_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: 414
Temperature: 1.350000
Total energy: -192.682089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.682089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.738341 (E_RNA)
where:
Base-Base interactions energy: -136.895
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.103
local terms energy: -55.740486
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -231.940933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.940933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.946849 (E_RNA)
where:
Base-Base interactions energy: -173.427
where: short stacking energy: -66.177
Base-Backbone interact. energy: -0.135
local terms energy: -58.385521
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.006 (S_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: 415
Temperature: 0.950000
Total energy: -234.309000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.309000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.551509 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -65.574
Base-Backbone interact. energy: -0.131
local terms energy: -68.433189
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.243 (S_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: 415
Temperature: 1.000000
Total energy: -219.302408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.302408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.317922 (E_RNA)
where:
Base-Base interactions energy: -167.321
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.615
local terms energy: -51.382335
where:
bonds (distance) C4'-P energy: -6.566
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -0.591
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.016 (S_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: 415
Temperature: 1.050000
Total energy: -200.603590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.603590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.675233 (E_RNA)
where:
Base-Base interactions energy: -142.430
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.007
local terms energy: -58.237825
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -207.235326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.235326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.269011 (E_RNA)
where:
Base-Base interactions energy: -144.030
where: short stacking energy: -55.939
Base-Backbone interact. energy: -0.066
local terms energy: -63.173573
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.034 (S_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: 415
Temperature: 1.150000
Total energy: -208.575657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.575657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766426 (E_RNA)
where:
Base-Base interactions energy: -145.097
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.005
local terms energy: -63.664167
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -200.684244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.806390 (E_RNA)
where:
Base-Base interactions energy: -141.385
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.000
local terms energy: -59.421055
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.122 (S_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: 415
Temperature: 1.250000
Total energy: -192.957637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651742 (E_RNA)
where:
Base-Base interactions energy: -136.094
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.242
local terms energy: -65.315909
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 8.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -183.469975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.469975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.361872 (E_RNA)
where:
Base-Base interactions energy: -135.814
where: short stacking energy: -51.726
Base-Backbone interact. energy: 0.386
local terms energy: -54.933892
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 6.892 (S_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: 415
Temperature: 1.350000
Total energy: -195.090509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.090509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.232230 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.010
local terms energy: -60.651288
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -232.636321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.636321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.649250 (E_RNA)
where:
Base-Base interactions energy: -179.749
where: short stacking energy: -75.238
Base-Backbone interact. energy: -0.001
local terms energy: -52.898947
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.013 (S_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: 416
Temperature: 0.950000
Total energy: -230.003355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.003355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.011104 (E_RNA)
where:
Base-Base interactions energy: -171.480
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.154
local terms energy: -58.377213
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.008 (S_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: 416
Temperature: 1.000000
Total energy: -216.752596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.752596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.782526 (E_RNA)
where:
Base-Base interactions energy: -150.240
where: short stacking energy: -58.668
Base-Backbone interact. energy: -0.088
local terms energy: -66.454136
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.030 (S_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: 416
Temperature: 1.050000
Total energy: -198.007042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.007042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.087784 (E_RNA)
where:
Base-Base interactions energy: -134.076
where: short stacking energy: -50.666
Base-Backbone interact. energy: -0.590
local terms energy: -63.421836
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -214.294084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.294084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.368467 (E_RNA)
where:
Base-Base interactions energy: -158.760
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.052
local terms energy: -55.556062
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.074 (S_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: 416
Temperature: 1.150000
Total energy: -204.610164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.610164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.783791 (E_RNA)
where:
Base-Base interactions energy: -143.567
where: short stacking energy: -58.164
Base-Backbone interact. energy: 0.070
local terms energy: -61.286720
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -206.568607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.568607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571842 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.052
local terms energy: -67.741080
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -176.065559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.146534 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.147
local terms energy: -59.247797
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 9.081 (S_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: 416
Temperature: 1.300000
Total energy: -191.538137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.538137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.636588 (E_RNA)
where:
Base-Base interactions energy: -131.690
where: short stacking energy: -49.637
Base-Backbone interact. energy: -0.063
local terms energy: -59.883655
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.098 (S_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: 416
Temperature: 1.350000
Total energy: -161.906354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.906354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.667631 (E_RNA)
where:
Base-Base interactions energy: -119.403
where: short stacking energy: -46.979
Base-Backbone interact. energy: -0.152
local terms energy: -50.112116
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 7.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -228.162902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.162902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.191512 (E_RNA)
where:
Base-Base interactions energy: -165.686
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.035
local terms energy: -62.469921
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.029 (S_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: 417
Temperature: 0.950000
Total energy: -215.761763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.761763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.784454 (E_RNA)
where:
Base-Base interactions energy: -147.508
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.032
local terms energy: -68.244063
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -226.218626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.218626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.271944 (E_RNA)
where:
Base-Base interactions energy: -171.106
where: short stacking energy: -68.228
Base-Backbone interact. energy: -0.187
local terms energy: -54.979137
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -0.203
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.053 (S_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: 417
Temperature: 1.050000
Total energy: -210.110107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.110107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.199045 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -56.854
Base-Backbone interact. energy: -0.278
local terms energy: -63.934563
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.089 (S_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: -200.268841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.268841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.281387 (E_RNA)
where:
Base-Base interactions energy: -146.136
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.001
local terms energy: -54.144228
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -7.887
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.013 (S_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: 417
Temperature: 1.150000
Total energy: -212.692364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.692364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.692364 (E_RNA)
where:
Base-Base interactions energy: -159.714
where: short stacking energy: -62.622
Base-Backbone interact. energy: -0.009
local terms energy: -52.969902
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -15.201
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: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -205.825581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.825581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.064506 (E_RNA)
where:
Base-Base interactions energy: -151.883
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.102
local terms energy: -54.080153
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.239 (S_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: 417
Temperature: 1.250000
Total energy: -189.744556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.744556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.744556 (E_RNA)
where:
Base-Base interactions energy: -132.005
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.965
local terms energy: -56.774885
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -172.702883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.702883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.401352 (E_RNA)
where:
Base-Base interactions energy: -125.917
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.114
local terms energy: -54.370192
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 7.698 (S_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: 417
Temperature: 1.350000
Total energy: -171.439601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.439601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.938055 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.009
local terms energy: -56.016250
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 7.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -234.627325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.627325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.678192 (E_RNA)
where:
Base-Base interactions energy: -168.264
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.126
local terms energy: -66.288475
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.051 (S_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: 418
Temperature: 0.950000
Total energy: -215.847941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871329 (E_RNA)
where:
Base-Base interactions energy: -153.220
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.012
local terms energy: -62.639171
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.023 (S_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: 418
Temperature: 1.000000
Total energy: -216.031893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.031893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111803 (E_RNA)
where:
Base-Base interactions energy: -152.654
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.001
local terms energy: -63.457215
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -209.428851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.428851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.471985 (E_RNA)
where:
Base-Base interactions energy: -146.022
where: short stacking energy: -58.517
Base-Backbone interact. energy: -0.012
local terms energy: -63.437183
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -15.502
Dist. restrs. and SS energy: 0.043 (S_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: 418
Temperature: 1.100000
Total energy: -213.326591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.326591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.334272 (E_RNA)
where:
Base-Base interactions energy: -147.970
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.014
local terms energy: -65.349766
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.008 (S_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: -195.005783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.005783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.005783 (E_RNA)
where:
Base-Base interactions energy: -136.984
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.101
local terms energy: -57.920872
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -13.519
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: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -206.903905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.903905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190011 (E_RNA)
where:
Base-Base interactions energy: -147.594
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.001
local terms energy: -59.594864
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.286 (S_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: 418
Temperature: 1.250000
Total energy: -195.742437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.742437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.885134 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -55.992
Base-Backbone interact. energy: -0.003
local terms energy: -60.131429
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -189.653807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.653807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.730564 (E_RNA)
where:
Base-Base interactions energy: -139.133
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.002
local terms energy: -57.596111
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 7.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -174.793954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.793954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240586 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -45.510
Base-Backbone interact. energy: -0.308
local terms energy: -59.499990
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 7.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -234.009441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.009441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.049641 (E_RNA)
where:
Base-Base interactions energy: -173.435
where: short stacking energy: -72.654
Base-Backbone interact. energy: -0.027
local terms energy: -60.587669
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.040 (S_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: 419
Temperature: 0.950000
Total energy: -225.835821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.022961 (E_RNA)
where:
Base-Base interactions energy: -168.798
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.048
local terms energy: -57.177023
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.187 (S_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: 419
Temperature: 1.000000
Total energy: -219.957596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011886 (E_RNA)
where:
Base-Base interactions energy: -152.411
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.003
local terms energy: -67.597895
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.054 (S_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: 419
Temperature: 1.050000
Total energy: -210.323327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.323327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.411124 (E_RNA)
where:
Base-Base interactions energy: -153.614
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.002
local terms energy: -56.794382
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -209.557962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.557962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.641794 (E_RNA)
where:
Base-Base interactions energy: -142.825
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.062
local terms energy: -66.754709
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.084 (S_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: 419
Temperature: 1.150000
Total energy: -202.746912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.746912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958229 (E_RNA)
where:
Base-Base interactions energy: -150.478
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.689
local terms energy: -51.792002
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -201.879704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.879704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.028865 (E_RNA)
where:
Base-Base interactions energy: -139.863
where: short stacking energy: -54.791
Base-Backbone interact. energy: -0.250
local terms energy: -61.916761
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.149 (S_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: 419
Temperature: 1.250000
Total energy: -199.816677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.816677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.861603 (E_RNA)
where:
Base-Base interactions energy: -143.819
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.001
local terms energy: -56.041825
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -180.234411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.234411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570380 (E_RNA)
where:
Base-Base interactions energy: -133.255
where: short stacking energy: -55.040
Base-Backbone interact. energy: -0.499
local terms energy: -53.816480
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 7.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -172.510214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.510214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.114598 (E_RNA)
where:
Base-Base interactions energy: -130.728
where: short stacking energy: -54.853
Base-Backbone interact. energy: -0.156
local terms energy: -49.230707
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 7.604 (S_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: 420
Temperature: 0.900000
Total energy: -231.595487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.595487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.599318 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.426
local terms energy: -62.476455
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.004 (S_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: 420
Temperature: 0.950000
Total energy: -217.726591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.726591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.726591 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.043
local terms energy: -61.401218
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -15.000
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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -219.817944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.817944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.022465 (E_RNA)
where:
Base-Base interactions energy: -161.734
where: short stacking energy: -61.709
Base-Backbone interact. energy: -0.215
local terms energy: -58.073465
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.205 (S_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: 420
Temperature: 1.050000
Total energy: -214.236124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.236124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.241106 (E_RNA)
where:
Base-Base interactions energy: -151.327
where: short stacking energy: -62.921
Base-Backbone interact. energy: -0.058
local terms energy: -62.855235
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -208.426749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.433173 (E_RNA)
where:
Base-Base interactions energy: -150.205
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.481
local terms energy: -57.747236
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -199.604190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.604190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.834147 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -56.530
Base-Backbone interact. energy: -0.022
local terms energy: -60.197760
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -204.325650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.325650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.508574 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.072
local terms energy: -65.076681
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.183 (S_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: 420
Temperature: 1.250000
Total energy: -212.536456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.586695 (E_RNA)
where:
Base-Base interactions energy: -143.739
where: short stacking energy: -61.171
Base-Backbone interact. energy: 0.214
local terms energy: -69.061186
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -178.128582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.321913 (E_RNA)
where:
Base-Base interactions energy: -127.442
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.024
local terms energy: -58.855529
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 8.193 (S_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: 420
Temperature: 1.350000
Total energy: -175.803057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.803057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.348854 (E_RNA)
where:
Base-Base interactions energy: -128.698
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.150
local terms energy: -54.501243
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 7.546 (S_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: 421
Temperature: 0.900000
Total energy: -229.622371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.622371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.641616 (E_RNA)
where:
Base-Base interactions energy: -171.522
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.022
local terms energy: -58.097537
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -212.318000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318000 (E_RNA)
where:
Base-Base interactions energy: -149.327
where: short stacking energy: -61.247
Base-Backbone interact. energy: -0.008
local terms energy: -62.982712
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -211.886143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.886143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.035907 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.010
local terms energy: -63.971504
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.150 (S_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: 421
Temperature: 1.050000
Total energy: -205.478679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.478679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.484654 (E_RNA)
where:
Base-Base interactions energy: -140.047
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.085
local terms energy: -65.352492
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.006 (S_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: 421
Temperature: 1.100000
Total energy: -210.265994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.265994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.405130 (E_RNA)
where:
Base-Base interactions energy: -157.357
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.005
local terms energy: -53.043020
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.139 (S_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: 421
Temperature: 1.150000
Total energy: -206.402211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.402211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.500778 (E_RNA)
where:
Base-Base interactions energy: -144.516
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.001
local terms energy: -61.983255
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -203.294590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.294590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.395860 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -59.135
Base-Backbone interact. energy: -0.081
local terms energy: -56.962118
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -207.168575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.168575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.271998 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -57.267
Base-Backbone interact. energy: -0.025
local terms energy: -60.174127
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.103 (S_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: 421
Temperature: 1.300000
Total energy: -176.261668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.261668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.872781 (E_RNA)
where:
Base-Base interactions energy: -128.852
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.020
local terms energy: -54.001078
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 6.611 (S_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: 421
Temperature: 1.350000
Total energy: -180.357341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.357341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.839159 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.211
local terms energy: -57.302835
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 8.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -217.487882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.487882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.691878 (E_RNA)
where:
Base-Base interactions energy: -150.750
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.013
local terms energy: -66.929013
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.204 (S_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: 422
Temperature: 0.950000
Total energy: -231.471472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.471472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.471472 (E_RNA)
where:
Base-Base interactions energy: -168.307
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.008
local terms energy: -63.156630
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -212.564712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.564712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.653110 (E_RNA)
where:
Base-Base interactions energy: -143.998
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.241
local terms energy: -68.414356
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.088 (S_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: -212.367224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.475963 (E_RNA)
where:
Base-Base interactions energy: -146.616
where: short stacking energy: -63.204
Base-Backbone interact. energy: 0.131
local terms energy: -65.990895
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.109 (S_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: 422
Temperature: 1.100000
Total energy: -212.728691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.728691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.739122 (E_RNA)
where:
Base-Base interactions energy: -153.936
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.055
local terms energy: -58.748192
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.010 (S_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: 422
Temperature: 1.150000
Total energy: -216.530420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.530420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.678444 (E_RNA)
where:
Base-Base interactions energy: -148.195
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.000
local terms energy: -68.483489
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -199.578604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.578604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.654051 (E_RNA)
where:
Base-Base interactions energy: -143.622
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.282
local terms energy: -55.750402
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -200.166286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.166286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.239616 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.098
local terms energy: -60.412115
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.073 (S_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: 422
Temperature: 1.300000
Total energy: -177.628778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.628778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.811206 (E_RNA)
where:
Base-Base interactions energy: -133.546
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.455
local terms energy: -51.810116
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -6.684
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 8.182 (S_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: 422
Temperature: 1.350000
Total energy: -179.181167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.181167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.557199 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -53.603
Base-Backbone interact. energy: -0.006
local terms energy: -62.579970
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 7.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -221.152623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.281119 (E_RNA)
where:
Base-Base interactions energy: -158.972
where: short stacking energy: -64.712
Base-Backbone interact. energy: -0.001
local terms energy: -62.308098
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.128 (S_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: -217.044142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.044142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.141509 (E_RNA)
where:
Base-Base interactions energy: -148.240
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.019
local terms energy: -68.882587
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.097 (S_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: 423
Temperature: 1.000000
Total energy: -225.189536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.189536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.244342 (E_RNA)
where:
Base-Base interactions energy: -161.792
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.002
local terms energy: -63.450464
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.055 (S_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: 423
Temperature: 1.050000
Total energy: -214.308844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.308844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.321316 (E_RNA)
where:
Base-Base interactions energy: -153.369
where: short stacking energy: -66.004
Base-Backbone interact. energy: 0.015
local terms energy: -60.967510
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -6.733
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -213.200880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.227271 (E_RNA)
where:
Base-Base interactions energy: -143.897
where: short stacking energy: -56.655
Base-Backbone interact. energy: -0.124
local terms energy: -69.206009
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -217.877095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.877095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.188654 (E_RNA)
where:
Base-Base interactions energy: -160.857
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.052
local terms energy: -57.279413
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.312 (S_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: 423
Temperature: 1.200000
Total energy: -202.025353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.025353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.185135 (E_RNA)
where:
Base-Base interactions energy: -143.246
where: short stacking energy: -47.210
Base-Backbone interact. energy: -0.541
local terms energy: -58.398825
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -201.826328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.826328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.906193 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.407
local terms energy: -57.776228
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -176.493895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.493895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.842627 (E_RNA)
where:
Base-Base interactions energy: -122.977
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.001
local terms energy: -60.864394
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 7.349 (S_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: 423
Temperature: 1.350000
Total energy: -183.467192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.467192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623141 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -54.209
Base-Backbone interact. energy: 1.101
local terms energy: -61.295078
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 9.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -221.226198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.250035 (E_RNA)
where:
Base-Base interactions energy: -149.054
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.517
local terms energy: -71.678338
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -220.948005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.948005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.974412 (E_RNA)
where:
Base-Base interactions energy: -157.356
where: short stacking energy: -68.827
Base-Backbone interact. energy: 0.938
local terms energy: -64.556105
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.026 (S_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: 424
Temperature: 1.000000
Total energy: -226.705535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.705535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.705535 (E_RNA)
where:
Base-Base interactions energy: -167.739
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.174
local terms energy: -58.792986
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -210.961518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.961518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075645 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.000
local terms energy: -67.186468
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.114 (S_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: 424
Temperature: 1.100000
Total energy: -209.874258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.874258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.963821 (E_RNA)
where:
Base-Base interactions energy: -143.746
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.438
local terms energy: -65.779383
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -203.699173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.699173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.882849 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -62.773
Base-Backbone interact. energy: -0.002
local terms energy: -60.402541
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -204.574909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.704209 (E_RNA)
where:
Base-Base interactions energy: -141.769
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.103
local terms energy: -62.832410
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -202.303036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.303036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329470 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -57.106
Base-Backbone interact. energy: -0.006
local terms energy: -53.523462
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.026 (S_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: 424
Temperature: 1.300000
Total energy: -178.955856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.955856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.024671 (E_RNA)
where:
Base-Base interactions energy: -125.249
where: short stacking energy: -57.076
Base-Backbone interact. energy: -0.712
local terms energy: -61.064129
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 8.069 (S_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: 424
Temperature: 1.350000
Total energy: -168.787419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.787419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901119 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -49.973
Base-Backbone interact. energy: 0.545
local terms energy: -57.861869
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 7.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -229.124505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.124505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.142976 (E_RNA)
where:
Base-Base interactions energy: -168.255
where: short stacking energy: -69.751
Base-Backbone interact. energy: -0.005
local terms energy: -60.883342
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -215.682340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.682340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.685590 (E_RNA)
where:
Base-Base interactions energy: -151.059
where: short stacking energy: -60.192
Base-Backbone interact. energy: -2.711
local terms energy: -61.915158
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.003 (S_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: 425
Temperature: 1.000000
Total energy: -213.775984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.783990 (E_RNA)
where:
Base-Base interactions energy: -151.287
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.002
local terms energy: -62.495004
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.008 (S_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: 425
Temperature: 1.050000
Total energy: -224.132962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.132962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.132962 (E_RNA)
where:
Base-Base interactions energy: -169.054
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.008
local terms energy: -55.070185
where:
bonds (distance) C4'-P energy: -7.544
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -200.973216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.973216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.024473 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.145
local terms energy: -59.381899
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -202.648492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.648492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.728541 (E_RNA)
where:
Base-Base interactions energy: -136.560
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.200
local terms energy: -65.969041
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -201.098558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.098558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.099205 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.033
local terms energy: -63.409489
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -197.247618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.247618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.479139 (E_RNA)
where:
Base-Base interactions energy: -139.802
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.012
local terms energy: -57.665493
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.232 (S_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: 425
Temperature: 1.300000
Total energy: -186.931749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.931749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.425133 (E_RNA)
where:
Base-Base interactions energy: -131.578
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.061
local terms energy: -62.786149
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 7.493 (S_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: 425
Temperature: 1.350000
Total energy: -175.736959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.736959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.792022 (E_RNA)
where:
Base-Base interactions energy: -123.252
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.749
local terms energy: -59.791582
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 8.055 (S_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: -228.459032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.560940 (E_RNA)
where:
Base-Base interactions energy: -165.832
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.001
local terms energy: -62.728203
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -220.277679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.277679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.324142 (E_RNA)
where:
Base-Base interactions energy: -162.183
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.188
local terms energy: -57.952646
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.046 (S_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: 426
Temperature: 1.000000
Total energy: -221.284975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.284975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.296147 (E_RNA)
where:
Base-Base interactions energy: -162.065
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.053
local terms energy: -59.178623
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.011 (S_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: 426
Temperature: 1.050000
Total energy: -215.662130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.662130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.807608 (E_RNA)
where:
Base-Base interactions energy: -148.176
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.300
local terms energy: -67.331380
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.145 (S_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: 426
Temperature: 1.100000
Total energy: -220.352624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.352624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.386676 (E_RNA)
where:
Base-Base interactions energy: -163.098
where: short stacking energy: -65.094
Base-Backbone interact. energy: -0.271
local terms energy: -57.017477
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -6.170
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. 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: -215.934017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.934017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.934017 (E_RNA)
where:
Base-Base interactions energy: -161.062
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.009
local terms energy: -54.862630
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -15.123
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: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -201.194051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.194051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.250425 (E_RNA)
where:
Base-Base interactions energy: -142.460
where: short stacking energy: -51.789
Base-Backbone interact. energy: 1.955
local terms energy: -60.745246
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -203.391592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.391592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.401095 (E_RNA)
where:
Base-Base interactions energy: -141.478
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.006
local terms energy: -61.916954
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.010 (S_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: 426
Temperature: 1.300000
Total energy: -183.801711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.801711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029986 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.487
local terms energy: -53.772933
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -7.029
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 7.228 (S_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: 426
Temperature: 1.350000
Total energy: -174.512245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.512245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.584879 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -55.583
Base-Backbone interact. energy: 0.130
local terms energy: -53.238787
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 8.073 (S_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: -237.872851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.872851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.898968 (E_RNA)
where:
Base-Base interactions energy: -172.497
where: short stacking energy: -69.404
Base-Backbone interact. energy: -0.743
local terms energy: -64.659426
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.026 (S_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: 427
Temperature: 0.950000
Total energy: -218.978987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.978987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.060804 (E_RNA)
where:
Base-Base interactions energy: -151.150
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.349
local terms energy: -67.562517
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -217.241881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.241881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.246799 (E_RNA)
where:
Base-Base interactions energy: -158.925
where: short stacking energy: -59.161
Base-Backbone interact. energy: -0.026
local terms energy: -58.295992
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -215.461254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.461254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.547177 (E_RNA)
where:
Base-Base interactions energy: -151.464
where: short stacking energy: -61.202
Base-Backbone interact. energy: -0.240
local terms energy: -63.843167
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.086 (S_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: 427
Temperature: 1.100000
Total energy: -212.682068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701618 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -66.482
Base-Backbone interact. energy: -0.123
local terms energy: -61.672380
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.020 (S_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: 427
Temperature: 1.150000
Total energy: -206.270951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.308623 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.018
local terms energy: -62.698195
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -204.597958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.597958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.678210 (E_RNA)
where:
Base-Base interactions energy: -147.938
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.001
local terms energy: -56.739658
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.080 (S_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: 427
Temperature: 1.250000
Total energy: -183.825640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.825640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.633861 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.279
local terms energy: -61.314170
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 6.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -195.668976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.668976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.698282 (E_RNA)
where:
Base-Base interactions energy: -131.743
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.001
local terms energy: -63.954093
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.029 (S_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: 427
Temperature: 1.350000
Total energy: -169.795957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.795957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.353357 (E_RNA)
where:
Base-Base interactions energy: -125.579
where: short stacking energy: -52.741
Base-Backbone interact. energy: -0.395
local terms energy: -51.378975
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 7.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -225.816849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.831564 (E_RNA)
where:
Base-Base interactions energy: -163.412
where: short stacking energy: -65.797
Base-Backbone interact. energy: -0.001
local terms energy: -62.418316
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.015 (S_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: -230.286103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.286103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292177 (E_RNA)
where:
Base-Base interactions energy: -169.438
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.002
local terms energy: -60.851646
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -217.260152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.260152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.260152 (E_RNA)
where:
Base-Base interactions energy: -147.851
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.018
local terms energy: -69.390577
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.098
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: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -205.433725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.433725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578657 (E_RNA)
where:
Base-Base interactions energy: -142.603
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.004
local terms energy: -62.971698
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.145 (S_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: 428
Temperature: 1.100000
Total energy: -204.316064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.316064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.363777 (E_RNA)
where:
Base-Base interactions energy: -154.032
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.001
local terms energy: -50.331443
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.048 (S_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: 428
Temperature: 1.150000
Total energy: -207.378032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.378032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.387774 (E_RNA)
where:
Base-Base interactions energy: -145.829
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.001
local terms energy: -61.558071
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.010 (S_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: 428
Temperature: 1.200000
Total energy: -179.197440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102661 (E_RNA)
where:
Base-Base interactions energy: -124.339
where: short stacking energy: -50.582
Base-Backbone interact. energy: -0.007
local terms energy: -63.756843
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 8.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -196.412569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.412569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.434765 (E_RNA)
where:
Base-Base interactions energy: -147.501
where: short stacking energy: -57.380
Base-Backbone interact. energy: -0.133
local terms energy: -48.800778
where:
bonds (distance) C4'-P energy: -6.262
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -194.449939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.449939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.449939 (E_RNA)
where:
Base-Base interactions energy: -134.495
where: short stacking energy: -49.094
Base-Backbone interact. energy: -0.008
local terms energy: -59.947588
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -9.655
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: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -173.534623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.534623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.504166 (E_RNA)
where:
Base-Base interactions energy: -131.867
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.002
local terms energy: -49.635663
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -4.767
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 7.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -233.542057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.542057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.542057 (E_RNA)
where:
Base-Base interactions energy: -166.022
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.587
local terms energy: -66.932879
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -18.603
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: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -219.073645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.073645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.190116 (E_RNA)
where:
Base-Base interactions energy: -158.200
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.002
local terms energy: -60.988267
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -212.583726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.789721 (E_RNA)
where:
Base-Base interactions energy: -148.167
where: short stacking energy: -64.361
Base-Backbone interact. energy: -1.003
local terms energy: -63.619076
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.206 (S_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: 429
Temperature: 1.050000
Total energy: -208.504043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.635050 (E_RNA)
where:
Base-Base interactions energy: -148.870
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.063
local terms energy: -59.702472
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.131 (S_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: 429
Temperature: 1.100000
Total energy: -216.262579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.262579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.296407 (E_RNA)
where:
Base-Base interactions energy: -160.398
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.001
local terms energy: -55.898360
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.034 (S_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: 429
Temperature: 1.150000
Total energy: -208.607720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.607720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.645554 (E_RNA)
where:
Base-Base interactions energy: -144.304
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.001
local terms energy: -64.340768
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.038 (S_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: 429
Temperature: 1.200000
Total energy: -174.055233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.055233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.028116 (E_RNA)
where:
Base-Base interactions energy: -123.176
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.143
local terms energy: -58.709264
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 7.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -201.015257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.015257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.082027 (E_RNA)
where:
Base-Base interactions energy: -145.515
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.005
local terms energy: -55.562296
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.067 (S_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: 429
Temperature: 1.300000
Total energy: -191.247443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.361467 (E_RNA)
where:
Base-Base interactions energy: -136.439
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.091
local terms energy: -54.830939
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.114 (S_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: 429
Temperature: 1.350000
Total energy: -169.506923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.506923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.548960 (E_RNA)
where:
Base-Base interactions energy: -126.099
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.467
local terms energy: -50.982950
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 8.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -237.034480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.034480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.065042 (E_RNA)
where:
Base-Base interactions energy: -170.668
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.014
local terms energy: -66.382723
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -231.671647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.671647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.671647 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.005
local terms energy: -67.118814
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -3.961
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -209.328599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328599 (E_RNA)
where:
Base-Base interactions energy: -147.032
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.018
local terms energy: -62.278136
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -209.314624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.314624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.502890 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -58.492
Base-Backbone interact. energy: 0.395
local terms energy: -66.306551
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.188 (S_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: 430
Temperature: 1.100000
Total energy: -216.656733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.656733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681923 (E_RNA)
where:
Base-Base interactions energy: -160.959
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.480
local terms energy: -55.242485
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.025 (S_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: 430
Temperature: 1.150000
Total energy: -212.724975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.724975 (E_RNA)
where:
Base-Base interactions energy: -153.566
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.000
local terms energy: -59.158800
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -7.686
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: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -202.401155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.401155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.505543 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -49.533
Base-Backbone interact. energy: -0.107
local terms energy: -65.125954
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -170.956263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.956263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.203656 (E_RNA)
where:
Base-Base interactions energy: -126.813
where: short stacking energy: -46.086
Base-Backbone interact. energy: 1.223
local terms energy: -52.613126
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 7.247 (S_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: 430
Temperature: 1.300000
Total energy: -191.183077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.183077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.215579 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.312
local terms energy: -55.533516
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.033 (S_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: -172.225111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.225111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.278686 (E_RNA)
where:
Base-Base interactions energy: -127.430
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.550
local terms energy: -53.299201
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 9.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -229.332539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.332539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.537267 (E_RNA)
where:
Base-Base interactions energy: -168.233
where: short stacking energy: -68.235
Base-Backbone interact. energy: -0.216
local terms energy: -61.088576
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -0.509
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -216.428417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.428417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.446841 (E_RNA)
where:
Base-Base interactions energy: -149.404
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.001
local terms energy: -67.042262
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -224.311523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.311523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.338174 (E_RNA)
where:
Base-Base interactions energy: -163.715
where: short stacking energy: -66.652
Base-Backbone interact. energy: -0.302
local terms energy: -60.320892
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -212.436544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.436544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.584004 (E_RNA)
where:
Base-Base interactions energy: -148.414
where: short stacking energy: -67.025
Base-Backbone interact. energy: -0.153
local terms energy: -64.017797
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.147 (S_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: -215.948150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.948150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950935 (E_RNA)
where:
Base-Base interactions energy: -164.777
where: short stacking energy: -63.281
Base-Backbone interact. energy: 0.305
local terms energy: -51.478525
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -215.211308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.211308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.249687 (E_RNA)
where:
Base-Base interactions energy: -156.576
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.217
local terms energy: -58.457050
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.038 (S_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: 431
Temperature: 1.200000
Total energy: -201.702523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.702523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859680 (E_RNA)
where:
Base-Base interactions energy: -145.032
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.002
local terms energy: -56.825579
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -7.175
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -194.193667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.193667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.379576 (E_RNA)
where:
Base-Base interactions energy: -135.369
where: short stacking energy: -52.891
Base-Backbone interact. energy: -0.004
local terms energy: -59.006565
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -9.245
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -12.497
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -171.521931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.521931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.355318 (E_RNA)
where:
Base-Base interactions energy: -130.567
where: short stacking energy: -57.903
Base-Backbone interact. energy: -1.348
local terms energy: -47.440394
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -7.773
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: 7.833 (S_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: -176.951336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.951336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.531360 (E_RNA)
where:
Base-Base interactions energy: -135.100
where: short stacking energy: -55.592
Base-Backbone interact. energy: 1.027
local terms energy: -49.458358
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 6.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -223.942849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.942849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.976976 (E_RNA)
where:
Base-Base interactions energy: -159.844
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.000
local terms energy: -64.132472
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -232.197059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.197059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.313488 (E_RNA)
where:
Base-Base interactions energy: -167.360
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.010
local terms energy: -64.943681
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -213.610940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.610940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.610940 (E_RNA)
where:
Base-Base interactions energy: -147.713
where: short stacking energy: -60.525
Base-Backbone interact. energy: 0.146
local terms energy: -66.043425
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -211.205967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.205967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.259150 (E_RNA)
where:
Base-Base interactions energy: -138.865
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.338
local terms energy: -72.056123
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -203.385134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.385134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.611088 (E_RNA)
where:
Base-Base interactions energy: -138.233
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.010
local terms energy: -65.368252
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.226 (S_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: 432
Temperature: 1.150000
Total energy: -207.029722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.029722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.232541 (E_RNA)
where:
Base-Base interactions energy: -152.109
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.580
local terms energy: -54.542791
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. 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: -202.447449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.447449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504202 (E_RNA)
where:
Base-Base interactions energy: -137.983
where: short stacking energy: -54.797
Base-Backbone interact. energy: 0.877
local terms energy: -65.397549
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.057 (S_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: 432
Temperature: 1.250000
Total energy: -201.458088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.458088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.490789 (E_RNA)
where:
Base-Base interactions energy: -136.152
where: short stacking energy: -47.806
Base-Backbone interact. energy: -0.001
local terms energy: -65.337814
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.033 (S_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: 432
Temperature: 1.300000
Total energy: -178.835365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.835365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.853908 (E_RNA)
where:
Base-Base interactions energy: -129.858
where: short stacking energy: -55.737
Base-Backbone interact. energy: -1.895
local terms energy: -55.101188
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -5.811
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 8.019 (S_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: 432
Temperature: 1.350000
Total energy: -169.957891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.957891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192789 (E_RNA)
where:
Base-Base interactions energy: -116.901
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.001
local terms energy: -60.290153
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 7.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -227.237718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.237718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.241437 (E_RNA)
where:
Base-Base interactions energy: -161.505
where: short stacking energy: -60.352
Base-Backbone interact. energy: -0.003
local terms energy: -65.734171
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.004 (S_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: 433
Temperature: 0.950000
Total energy: -217.201167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.201167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.207210 (E_RNA)
where:
Base-Base interactions energy: -152.951
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.002
local terms energy: -64.253828
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.006 (S_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: 433
Temperature: 1.000000
Total energy: -207.077837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.077837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.078521 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -56.055
Base-Backbone interact. energy: -0.667
local terms energy: -64.372168
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -221.272437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.272437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.280990 (E_RNA)
where:
Base-Base interactions energy: -163.690
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.014
local terms energy: -57.576891
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -214.805854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.805854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.904563 (E_RNA)
where:
Base-Base interactions energy: -155.408
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.038
local terms energy: -59.458419
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. 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: -207.737731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.737731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.751676 (E_RNA)
where:
Base-Base interactions energy: -148.659
where: short stacking energy: -59.129
Base-Backbone interact. energy: -0.376
local terms energy: -58.717401
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.014 (S_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: 433
Temperature: 1.200000
Total energy: -197.052535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.052535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.117792 (E_RNA)
where:
Base-Base interactions energy: -132.714
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.083
local terms energy: -64.320543
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.065 (S_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: 433
Temperature: 1.250000
Total energy: -188.029949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.029949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.054393 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -48.589
Base-Backbone interact. energy: -0.172
local terms energy: -55.012309
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.024 (S_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: 433
Temperature: 1.300000
Total energy: -167.595665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.595665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.143193 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.398
local terms energy: -57.263720
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 6.548 (S_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: 433
Temperature: 1.350000
Total energy: -172.896145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.896145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.848789 (E_RNA)
where:
Base-Base interactions energy: -121.881
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.155
local terms energy: -58.812329
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -13.990
Dist. restrs. and SS energy: 7.953 (S_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: 434
Temperature: 0.900000
Total energy: -225.350245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.350245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.364065 (E_RNA)
where:
Base-Base interactions energy: -165.706
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.003
local terms energy: -59.655117
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -223.974369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.974369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.118226 (E_RNA)
where:
Base-Base interactions energy: -161.257
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.389
local terms energy: -62.472273
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -212.349307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.349307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.483758 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -57.922
Base-Backbone interact. energy: -0.297
local terms energy: -67.340180
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.134 (S_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: 434
Temperature: 1.050000
Total energy: -220.186703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.186703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.194180 (E_RNA)
where:
Base-Base interactions energy: -155.868
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.889
local terms energy: -63.437465
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.007 (S_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: 434
Temperature: 1.100000
Total energy: -211.162266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.162266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.592216 (E_RNA)
where:
Base-Base interactions energy: -146.878
where: short stacking energy: -61.702
Base-Backbone interact. energy: -0.042
local terms energy: -64.672826
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.430 (S_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: 434
Temperature: 1.150000
Total energy: -202.710833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.710833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806367 (E_RNA)
where:
Base-Base interactions energy: -142.542
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.576
local terms energy: -59.688285
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.096 (S_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: 434
Temperature: 1.200000
Total energy: -201.836185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.113832 (E_RNA)
where:
Base-Base interactions energy: -142.007
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.995
local terms energy: -59.111695
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -11.133
Dist. restrs. and SS energy: 0.278 (S_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: 434
Temperature: 1.250000
Total energy: -209.446056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.507568 (E_RNA)
where:
Base-Base interactions energy: -150.321
where: short stacking energy: -61.251
Base-Backbone interact. energy: -0.018
local terms energy: -59.168383
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.062 (S_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: 434
Temperature: 1.300000
Total energy: -178.232337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.232337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.530946 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.377
local terms energy: -53.157291
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 6.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -176.975130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.975130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.045776 (E_RNA)
where:
Base-Base interactions energy: -122.294
where: short stacking energy: -56.536
Base-Backbone interact. energy: -0.021
local terms energy: -61.731201
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 7.071 (S_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: 435
Temperature: 0.900000
Total energy: -229.883948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.883948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.925849 (E_RNA)
where:
Base-Base interactions energy: -167.625
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.005
local terms energy: -62.296349
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.042 (S_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: -213.871633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.871633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.915166 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -57.859
Base-Backbone interact. energy: 0.392
local terms energy: -67.071697
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -215.483509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.483509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.566014 (E_RNA)
where:
Base-Base interactions energy: -155.414
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.094
local terms energy: -60.057689
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.083 (S_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: 435
Temperature: 1.050000
Total energy: -203.005885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.005885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.311217 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.012
local terms energy: -58.914824
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.305 (S_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: 435
Temperature: 1.100000
Total energy: -210.046652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.046652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.315330 (E_RNA)
where:
Base-Base interactions energy: -142.954
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.342
local terms energy: -67.019774
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.269 (S_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: 435
Temperature: 1.150000
Total energy: -199.804317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.804317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.805199 (E_RNA)
where:
Base-Base interactions energy: -145.379
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.127
local terms energy: -54.298665
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.001 (S_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: 435
Temperature: 1.200000
Total energy: -194.567492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.579220 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.049
local terms energy: -56.118560
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.012 (S_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: 435
Temperature: 1.250000
Total energy: -178.189182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.189182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.349377 (E_RNA)
where:
Base-Base interactions energy: -129.516
where: short stacking energy: -50.960
Base-Backbone interact. energy: -0.101
local terms energy: -55.732799
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 7.160 (S_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: 435
Temperature: 1.300000
Total energy: -198.875749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.875749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909583 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -59.679
Base-Backbone interact. energy: -0.105
local terms energy: -55.487865
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -170.634231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.634231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.808451 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -57.047
Base-Backbone interact. energy: -0.407
local terms energy: -50.150722
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -5.853
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 9.174 (S_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: 436
Temperature: 0.900000
Total energy: -228.905556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.037294 (E_RNA)
where:
Base-Base interactions energy: -165.520
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.165
local terms energy: -63.352106
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.132 (S_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: -216.458607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.458607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.514670 (E_RNA)
where:
Base-Base interactions energy: -156.949
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.325
local terms energy: -59.240669
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.056 (S_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: 436
Temperature: 1.000000
Total energy: -215.384760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.384760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.527682 (E_RNA)
where:
Base-Base interactions energy: -149.887
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.041
local terms energy: -65.599052
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.143 (S_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: 436
Temperature: 1.050000
Total energy: -211.264961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.264961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.336902 (E_RNA)
where:
Base-Base interactions energy: -153.219
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.104
local terms energy: -58.014312
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.072 (S_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: -204.155978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.155978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.183869 (E_RNA)
where:
Base-Base interactions energy: -147.289
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.085
local terms energy: -56.810093
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.028 (S_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: 436
Temperature: 1.150000
Total energy: -200.976046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.976046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.106740 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.041
local terms energy: -61.871381
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.131 (S_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: 436
Temperature: 1.200000
Total energy: -179.021780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.021780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.768965 (E_RNA)
where:
Base-Base interactions energy: -127.432
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.941
local terms energy: -58.396009
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 7.747 (S_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: 436
Temperature: 1.250000
Total energy: -196.229626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.229626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.377361 (E_RNA)
where:
Base-Base interactions energy: -140.239
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.751
local terms energy: -55.387434
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -5.152
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.148 (S_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: 436
Temperature: 1.300000
Total energy: -196.055773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.055773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.065816 (E_RNA)
where:
Base-Base interactions energy: -139.580
where: short stacking energy: -53.229
Base-Backbone interact. energy: -0.076
local terms energy: -56.409748
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.010 (S_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: -177.249616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.249616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.406481 (E_RNA)
where:
Base-Base interactions energy: -127.995
where: short stacking energy: -52.595
Base-Backbone interact. energy: -0.168
local terms energy: -57.243700
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 8.157 (S_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: 437
Temperature: 0.900000
Total energy: -218.824814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.824814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.834842 (E_RNA)
where:
Base-Base interactions energy: -150.248
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.070
local terms energy: -68.516653
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.010 (S_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: 437
Temperature: 0.950000
Total energy: -223.855793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.855793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.908411 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -64.965
Base-Backbone interact. energy: -0.011
local terms energy: -72.657515
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. 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: -217.838003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.838003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.890881 (E_RNA)
where:
Base-Base interactions energy: -155.400
where: short stacking energy: -67.695
Base-Backbone interact. energy: -0.002
local terms energy: -62.489297
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -214.323816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.582562 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.004
local terms energy: -65.609005
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.259 (S_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: 437
Temperature: 1.100000
Total energy: -215.459868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.459868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.514006 (E_RNA)
where:
Base-Base interactions energy: -159.617
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.516
local terms energy: -55.381414
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.054 (S_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: 437
Temperature: 1.150000
Total energy: -193.182412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.182412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.204025 (E_RNA)
where:
Base-Base interactions energy: -142.918
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.498
local terms energy: -58.787717
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 9.022 (S_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: 437
Temperature: 1.200000
Total energy: -205.149040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.149040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.258727 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -59.113
Base-Backbone interact. energy: -0.000
local terms energy: -59.413517
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -7.198
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.110 (S_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: 437
Temperature: 1.250000
Total energy: -204.298694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.298694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.388306 (E_RNA)
where:
Base-Base interactions energy: -141.126
where: short stacking energy: -54.680
Base-Backbone interact. energy: 1.021
local terms energy: -64.283497
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.090 (S_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: 437
Temperature: 1.300000
Total energy: -197.602187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.602187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743405 (E_RNA)
where:
Base-Base interactions energy: -136.172
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.163
local terms energy: -61.408491
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -13.537
Dist. restrs. and SS energy: 0.141 (S_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: -167.415936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.415936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.062929 (E_RNA)
where:
Base-Base interactions energy: -121.188
where: short stacking energy: -49.629
Base-Backbone interact. energy: -0.345
local terms energy: -52.530015
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 6.647 (S_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: 438
Temperature: 0.900000
Total energy: -226.559063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.598651 (E_RNA)
where:
Base-Base interactions energy: -160.304
where: short stacking energy: -66.713
Base-Backbone interact. energy: 0.233
local terms energy: -66.527746
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.040 (S_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: 438
Temperature: 0.950000
Total energy: -219.181709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.181709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.300017 (E_RNA)
where:
Base-Base interactions energy: -159.014
where: short stacking energy: -61.632
Base-Backbone interact. energy: -0.082
local terms energy: -60.204883
where:
bonds (distance) C4'-P energy: -8.669
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -226.597073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.597073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.616801 (E_RNA)
where:
Base-Base interactions energy: -169.477
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.160
local terms energy: -56.979300
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -0.378
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -210.410245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.410245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.465117 (E_RNA)
where:
Base-Base interactions energy: -154.004
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.074
local terms energy: -56.387074
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.055 (S_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: 438
Temperature: 1.100000
Total energy: -225.943764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.943764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.003388 (E_RNA)
where:
Base-Base interactions energy: -165.769
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.010
local terms energy: -60.223884
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.060 (S_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: 438
Temperature: 1.150000
Total energy: -206.850125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.850125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.888248 (E_RNA)
where:
Base-Base interactions energy: -146.318
where: short stacking energy: -63.182
Base-Backbone interact. energy: -0.000
local terms energy: -67.569525
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 7.038 (S_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: 438
Temperature: 1.200000
Total energy: -207.568819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.568819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.649211 (E_RNA)
where:
Base-Base interactions energy: -146.219
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.000
local terms energy: -61.429436
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -199.301678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.301678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.412791 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.086
local terms energy: -60.310559
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.111 (S_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: 438
Temperature: 1.300000
Total energy: -190.207864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.207864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.567331 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -58.379
Base-Backbone interact. energy: -0.001
local terms energy: -62.740009
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.359 (S_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: 438
Temperature: 1.350000
Total energy: -175.960253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.960253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.335269 (E_RNA)
where:
Base-Base interactions energy: -124.684
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.586
local terms energy: -59.065629
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 8.375 (S_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: 439
Temperature: 0.900000
Total energy: -225.024933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.024933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.116342 (E_RNA)
where:
Base-Base interactions energy: -157.415
where: short stacking energy: -64.486
Base-Backbone interact. energy: -0.000
local terms energy: -67.701592
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -227.945989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.945989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.037909 (E_RNA)
where:
Base-Base interactions energy: -163.118
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.010
local terms energy: -64.909804
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -216.770080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.770080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.884291 (E_RNA)
where:
Base-Base interactions energy: -154.499
where: short stacking energy: -60.758
Base-Backbone interact. energy: -0.003
local terms energy: -62.382983
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -209.773901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.773901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803838 (E_RNA)
where:
Base-Base interactions energy: -145.439
where: short stacking energy: -63.260
Base-Backbone interact. energy: -0.098
local terms energy: -64.266822
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.030 (S_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: -206.651635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.651635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.782962 (E_RNA)
where:
Base-Base interactions energy: -146.450
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.066
local terms energy: -60.267336
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.131 (S_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: 439
Temperature: 1.150000
Total energy: -209.974472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.974472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.036029 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.012
local terms energy: -69.291099
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.062 (S_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: 439
Temperature: 1.200000
Total energy: -187.970160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.970160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.709387 (E_RNA)
where:
Base-Base interactions energy: -137.826
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.063
local terms energy: -57.820500
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 7.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -203.760595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.760595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.760595 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -53.366
Base-Backbone interact. energy: -0.218
local terms energy: -56.271549
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -197.191707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.191707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.191707 (E_RNA)
where:
Base-Base interactions energy: -137.949
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.144
local terms energy: -59.098240
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -14.440
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: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -176.874009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.874009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673109 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -50.218
Base-Backbone interact. energy: -0.095
local terms energy: -59.638492
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 8.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -241.258018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.258018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.258018 (E_RNA)
where:
Base-Base interactions energy: -178.602
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.001
local terms energy: -62.654817
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -216.414846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.414846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.426644 (E_RNA)
where:
Base-Base interactions energy: -151.288
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.018
local terms energy: -65.120368
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -211.482933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.482933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.511429 (E_RNA)
where:
Base-Base interactions energy: -147.079
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.003
local terms energy: -64.429146
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -208.848007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.848007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.941524 (E_RNA)
where:
Base-Base interactions energy: -149.598
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.044
local terms energy: -59.299824
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.094 (S_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: 440
Temperature: 1.100000
Total energy: -207.523589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.523589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.574837 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.242
local terms energy: -61.860493
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -205.747040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.747040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.792137 (E_RNA)
where:
Base-Base interactions energy: -150.389
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.101
local terms energy: -55.302391
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -202.990138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.990138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.104735 (E_RNA)
where:
Base-Base interactions energy: -156.703
where: short stacking energy: -61.317
Base-Backbone interact. energy: -0.061
local terms energy: -46.340721
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.115 (S_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: 440
Temperature: 1.250000
Total energy: -180.373174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.373174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.979780 (E_RNA)
where:
Base-Base interactions energy: -128.712
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.006
local terms energy: -61.261876
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 9.607 (S_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: 440
Temperature: 1.300000
Total energy: -197.569919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.569919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.577490 (E_RNA)
where:
Base-Base interactions energy: -136.979
where: short stacking energy: -51.509
Base-Backbone interact. energy: 0.329
local terms energy: -60.927483
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -176.882509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.882509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.980296 (E_RNA)
where:
Base-Base interactions energy: -125.539
where: short stacking energy: -57.583
Base-Backbone interact. energy: -0.123
local terms energy: -59.318622
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 8.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -219.233701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.233701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.316871 (E_RNA)
where:
Base-Base interactions energy: -153.978
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.220
local terms energy: -65.119312
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.083 (S_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: 441
Temperature: 0.950000
Total energy: -216.672173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.672173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792383 (E_RNA)
where:
Base-Base interactions energy: -156.109
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.007
local terms energy: -60.676338
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.120 (S_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: 441
Temperature: 1.000000
Total energy: -212.695030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.695030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.733257 (E_RNA)
where:
Base-Base interactions energy: -148.126
where: short stacking energy: -56.965
Base-Backbone interact. energy: 0.186
local terms energy: -64.793049
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.038 (S_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: 441
Temperature: 1.050000
Total energy: -209.682868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.682868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.730285 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.005
local terms energy: -63.434722
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -207.295454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295454 (E_RNA)
where:
Base-Base interactions energy: -142.941
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.093
local terms energy: -64.261836
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -202.569025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.569025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.599429 (E_RNA)
where:
Base-Base interactions energy: -143.654
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.035
local terms energy: -58.910296
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -201.380519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.380519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655120 (E_RNA)
where:
Base-Base interactions energy: -136.882
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.959
local terms energy: -63.814901
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.275 (S_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: 441
Temperature: 1.250000
Total energy: -194.634100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.752788 (E_RNA)
where:
Base-Base interactions energy: -137.177
where: short stacking energy: -53.506
Base-Backbone interact. energy: -0.015
local terms energy: -57.560089
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -180.233813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.233813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.760245 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -56.327
Base-Backbone interact. energy: -0.002
local terms energy: -57.393295
where:
bonds (distance) C4'-P energy: -2.998
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 7.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -180.225602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.225602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.672125 (E_RNA)
where:
Base-Base interactions energy: -127.749
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.221
local terms energy: -59.701759
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 7.447 (S_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: 442
Temperature: 0.900000
Total energy: -217.651644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.651644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.807614 (E_RNA)
where:
Base-Base interactions energy: -152.173
where: short stacking energy: -67.006
Base-Backbone interact. energy: 0.014
local terms energy: -65.648541
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -233.021490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.021490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.053106 (E_RNA)
where:
Base-Base interactions energy: -173.927
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.358
local terms energy: -58.768288
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.032 (S_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: 442
Temperature: 1.000000
Total energy: -215.987397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.987397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.032999 (E_RNA)
where:
Base-Base interactions energy: -153.475
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.009
local terms energy: -62.548652
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.046 (S_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: 442
Temperature: 1.050000
Total energy: -213.050972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.050972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.050972 (E_RNA)
where:
Base-Base interactions energy: -144.874
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.068
local terms energy: -68.109244
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -11.902
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: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -205.849764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.849764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.927690 (E_RNA)
where:
Base-Base interactions energy: -146.046
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.147
local terms energy: -59.734390
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.078 (S_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: 442
Temperature: 1.150000
Total energy: -203.708937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.708937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.789678 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -57.502
Base-Backbone interact. energy: 1.686
local terms energy: -63.978338
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.081 (S_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: 442
Temperature: 1.200000
Total energy: -194.194844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.194844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.250068 (E_RNA)
where:
Base-Base interactions energy: -141.479
where: short stacking energy: -52.033
Base-Backbone interact. energy: -0.143
local terms energy: -52.628625
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -7.187
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -203.535477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.535477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.598104 (E_RNA)
where:
Base-Base interactions energy: -138.214
where: short stacking energy: -55.162
Base-Backbone interact. energy: -0.034
local terms energy: -65.350084
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -180.084665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.084665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.473514 (E_RNA)
where:
Base-Base interactions energy: -127.021
where: short stacking energy: -53.651
Base-Backbone interact. energy: -1.053
local terms energy: -61.399626
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 9.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -179.571584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.571584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.670970 (E_RNA)
where:
Base-Base interactions energy: -127.700
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.121
local terms energy: -57.850705
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 6.099 (S_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: 443
Temperature: 0.900000
Total energy: -225.607026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.607026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.655413 (E_RNA)
where:
Base-Base interactions energy: -159.369
where: short stacking energy: -67.231
Base-Backbone interact. energy: 0.124
local terms energy: -66.409771
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -227.289042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.312934 (E_RNA)
where:
Base-Base interactions energy: -162.174
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.079
local terms energy: -65.059352
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.024 (S_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: 443
Temperature: 1.000000
Total energy: -218.737026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.737026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.737026 (E_RNA)
where:
Base-Base interactions energy: -162.625
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.009
local terms energy: -56.102382
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -4.367
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -212.119540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.194289 (E_RNA)
where:
Base-Base interactions energy: -150.841
where: short stacking energy: -53.351
Base-Backbone interact. energy: -0.166
local terms energy: -61.187261
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -205.514271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.514271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.864277 (E_RNA)
where:
Base-Base interactions energy: -136.625
where: short stacking energy: -54.840
Base-Backbone interact. energy: 1.487
local terms energy: -70.726137
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.350 (S_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: 443
Temperature: 1.150000
Total energy: -205.627435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.627435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.644395 (E_RNA)
where:
Base-Base interactions energy: -148.197
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.109
local terms energy: -57.338455
where:
bonds (distance) C4'-P energy: -7.283
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -200.085518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.085518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092677 (E_RNA)
where:
Base-Base interactions energy: -144.114
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.055
local terms energy: -55.924279
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -200.374718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.374718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452046 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.062
local terms energy: -61.946744
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.077 (S_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: 443
Temperature: 1.300000
Total energy: -183.022099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.022099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.425876 (E_RNA)
where:
Base-Base interactions energy: -129.884
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.257
local terms energy: -61.284674
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 8.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -196.329976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.329976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.519277 (E_RNA)
where:
Base-Base interactions energy: -143.129
where: short stacking energy: -63.672
Base-Backbone interact. energy: -0.001
local terms energy: -60.389019
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 7.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -228.307530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.307530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.307530 (E_RNA)
where:
Base-Base interactions energy: -163.548
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.239
local terms energy: -64.520916
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -224.509369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.509369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.560145 (E_RNA)
where:
Base-Base interactions energy: -162.044
where: short stacking energy: -65.958
Base-Backbone interact. energy: -0.001
local terms energy: -62.514743
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.051 (S_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: 444
Temperature: 1.000000
Total energy: -224.375496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.386788 (E_RNA)
where:
Base-Base interactions energy: -162.071
where: short stacking energy: -61.638
Base-Backbone interact. energy: -0.031
local terms energy: -62.284679
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.011 (S_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: 444
Temperature: 1.050000
Total energy: -209.444592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.444592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.473906 (E_RNA)
where:
Base-Base interactions energy: -150.987
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.103
local terms energy: -58.384545
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.029 (S_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: 444
Temperature: 1.100000
Total energy: -203.228724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.228724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.529808 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.216
local terms energy: -59.154631
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.301 (S_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: 444
Temperature: 1.150000
Total energy: -211.310385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.310385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.464211 (E_RNA)
where:
Base-Base interactions energy: -159.728
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.009
local terms energy: -51.727277
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.154 (S_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: 444
Temperature: 1.200000
Total energy: -209.841448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.841448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870930 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.321
local terms energy: -65.488268
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -8.981
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -205.432785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.432785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.432785 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.062
local terms energy: -63.067157
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -173.511925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.511925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.709805 (E_RNA)
where:
Base-Base interactions energy: -127.849
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.000
local terms energy: -51.860399
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 6.198 (S_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: 444
Temperature: 1.350000
Total energy: -178.728739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.728739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.519211 (E_RNA)
where:
Base-Base interactions energy: -127.566
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.910
local terms energy: -59.044013
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -8.464
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 8.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -226.898207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.898207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.042631 (E_RNA)
where:
Base-Base interactions energy: -164.130
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.001
local terms energy: -62.912030
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -227.410457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.410457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.439923 (E_RNA)
where:
Base-Base interactions energy: -165.920
where: short stacking energy: -66.731
Base-Backbone interact. energy: 0.328
local terms energy: -61.848025
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -216.441732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.441732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.507101 (E_RNA)
where:
Base-Base interactions energy: -159.105
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.515
local terms energy: -56.886713
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.065 (S_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: 445
Temperature: 1.050000
Total energy: -205.051534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.051534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.214597 (E_RNA)
where:
Base-Base interactions energy: -145.064
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.002
local terms energy: -60.148497
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.163 (S_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: 445
Temperature: 1.100000
Total energy: -215.487239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.509309 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -64.661
Base-Backbone interact. energy: -0.279
local terms energy: -57.999127
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.022 (S_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: 445
Temperature: 1.150000
Total energy: -204.750149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.750149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.829725 (E_RNA)
where:
Base-Base interactions energy: -148.309
where: short stacking energy: -58.642
Base-Backbone interact. energy: -0.291
local terms energy: -56.229821
where:
bonds (distance) C4'-P energy: -5.854
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.080 (S_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: 445
Temperature: 1.200000
Total energy: -203.141897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.141897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.141897 (E_RNA)
where:
Base-Base interactions energy: -140.053
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.000
local terms energy: -63.088327
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -13.133
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: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -182.072250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.072250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.950337 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.678
local terms energy: -58.390906
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 6.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -188.796036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.796036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.852138 (E_RNA)
where:
Base-Base interactions energy: -127.593
where: short stacking energy: -46.654
Base-Backbone interact. energy: -0.005
local terms energy: -61.253960
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.056 (S_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: 445
Temperature: 1.350000
Total energy: -171.279241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.279241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.082754 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -48.054
Base-Backbone interact. energy: -1.099
local terms energy: -59.299354
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 9.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -233.588381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.588381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.801498 (E_RNA)
where:
Base-Base interactions energy: -172.783
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.003
local terms energy: -61.015339
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -219.890776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.937573 (E_RNA)
where:
Base-Base interactions energy: -154.390
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.044
local terms energy: -65.503296
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.047 (S_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: 446
Temperature: 1.000000
Total energy: -212.266360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.266360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.289345 (E_RNA)
where:
Base-Base interactions energy: -149.470
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.095
local terms energy: -62.724814
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.023 (S_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: 446
Temperature: 1.050000
Total energy: -203.706516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.706516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.768971 (E_RNA)
where:
Base-Base interactions energy: -145.338
where: short stacking energy: -57.228
Base-Backbone interact. energy: 0.491
local terms energy: -58.921355
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -208.999704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.999704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.043448 (E_RNA)
where:
Base-Base interactions energy: -146.946
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.070
local terms energy: -62.027656
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.044 (S_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: 446
Temperature: 1.150000
Total energy: -204.726397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.726397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.971688 (E_RNA)
where:
Base-Base interactions energy: -154.243
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.166
local terms energy: -50.563007
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -2.658
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -186.400488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.400488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.330861 (E_RNA)
where:
Base-Base interactions energy: -132.205
where: short stacking energy: -52.071
Base-Backbone interact. energy: -0.067
local terms energy: -62.059168
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 7.930 (S_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: 446
Temperature: 1.250000
Total energy: -203.042323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.042323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.200382 (E_RNA)
where:
Base-Base interactions energy: -150.885
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.116
local terms energy: -52.199278
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -8.698
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.158 (S_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: 446
Temperature: 1.300000
Total energy: -180.548081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.548081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.437857 (E_RNA)
where:
Base-Base interactions energy: -135.279
where: short stacking energy: -59.268
Base-Backbone interact. energy: 0.629
local terms energy: -52.787923
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -8.466
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 6.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -190.705998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.705998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.754223 (E_RNA)
where:
Base-Base interactions energy: -139.894
where: short stacking energy: -56.045
Base-Backbone interact. energy: 0.128
local terms energy: -50.988649
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -231.263641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.263641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.527639 (E_RNA)
where:
Base-Base interactions energy: -168.808
where: short stacking energy: -69.556
Base-Backbone interact. energy: -0.002
local terms energy: -62.717457
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -219.587790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744630 (E_RNA)
where:
Base-Base interactions energy: -147.669
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.698
local terms energy: -71.377092
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -219.251137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.251137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.257102 (E_RNA)
where:
Base-Base interactions energy: -156.307
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.003
local terms energy: -62.946572
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -232.098452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.098452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.098452 (E_RNA)
where:
Base-Base interactions energy: -168.807
where: short stacking energy: -67.916
Base-Backbone interact. energy: -0.165
local terms energy: -63.126438
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -208.250347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.250347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.291261 (E_RNA)
where:
Base-Base interactions energy: -147.752
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.039
local terms energy: -60.500471
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.041 (S_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: 447
Temperature: 1.150000
Total energy: -185.014528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.014528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.674254 (E_RNA)
where:
Base-Base interactions energy: -133.744
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.000
local terms energy: -61.930250
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 10.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -202.118201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.118201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203729 (E_RNA)
where:
Base-Base interactions energy: -139.094
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.000
local terms energy: -63.109851
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.086 (S_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: 447
Temperature: 1.250000
Total energy: -213.354509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.555197 (E_RNA)
where:
Base-Base interactions energy: -152.832
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.101
local terms energy: -60.622096
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.201 (S_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: 447
Temperature: 1.300000
Total energy: -167.783439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.783439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.829338 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -52.248
Base-Backbone interact. energy: -1.761
local terms energy: -51.448880
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 8.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -194.320908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.320908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.643342 (E_RNA)
where:
Base-Base interactions energy: -136.242
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.283
local terms energy: -58.118646
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -223.310341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.383757 (E_RNA)
where:
Base-Base interactions energy: -154.632
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.001
local terms energy: -68.750565
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -232.969567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.969567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.025243 (E_RNA)
where:
Base-Base interactions energy: -176.129
where: short stacking energy: -71.545
Base-Backbone interact. energy: -0.044
local terms energy: -56.851628
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -2.444
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.056 (S_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: 448
Temperature: 1.000000
Total energy: -227.734483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.734483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.799020 (E_RNA)
where:
Base-Base interactions energy: -161.469
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.165
local terms energy: -66.165007
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.065 (S_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: 448
Temperature: 1.050000
Total energy: -213.576424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593937 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -57.864
Base-Backbone interact. energy: -0.025
local terms energy: -58.990538
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -208.287073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.287073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.313179 (E_RNA)
where:
Base-Base interactions energy: -153.860
where: short stacking energy: -55.555
Base-Backbone interact. energy: -0.234
local terms energy: -54.219875
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.026 (S_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: 448
Temperature: 1.150000
Total energy: -195.106796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.106796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.144996 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.918
local terms energy: -61.508648
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 8.038 (S_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: 448
Temperature: 1.200000
Total energy: -196.605622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.605622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.760174 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -53.285
Base-Backbone interact. energy: 2.819
local terms energy: -58.596773
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -198.590415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.590415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.165024 (E_RNA)
where:
Base-Base interactions energy: -130.978
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.001
local terms energy: -68.186014
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -196.591171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.591171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.640735 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.105
local terms energy: -58.882931
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.050 (S_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: 448
Temperature: 1.350000
Total energy: -177.529126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.529126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.514177 (E_RNA)
where:
Base-Base interactions energy: -131.411
where: short stacking energy: -60.095
Base-Backbone interact. energy: -0.012
local terms energy: -53.090801
where:
bonds (distance) C4'-P energy: -2.867
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 6.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -226.507757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.507757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.713213 (E_RNA)
where:
Base-Base interactions energy: -160.120
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.577
local terms energy: -66.016887
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.205 (S_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: 449
Temperature: 0.950000
Total energy: -232.160212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.160212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.166834 (E_RNA)
where:
Base-Base interactions energy: -168.522
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.172
local terms energy: -63.472795
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -214.612429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.693183 (E_RNA)
where:
Base-Base interactions energy: -151.638
where: short stacking energy: -60.846
Base-Backbone interact. energy: 0.087
local terms energy: -63.142081
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -205.009988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.009988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166672 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.102
local terms energy: -60.273628
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.157 (S_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: 449
Temperature: 1.100000
Total energy: -206.410191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.410191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.498239 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.000
local terms energy: -64.991201
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -175.830141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.830141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.624045 (E_RNA)
where:
Base-Base interactions energy: -126.997
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.258
local terms energy: -56.368423
where:
bonds (distance) C4'-P energy: -5.231
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 7.794 (S_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: 449
Temperature: 1.200000
Total energy: -204.787960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.787960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.801925 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.005
local terms energy: -55.205650
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -197.032094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.032094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.042828 (E_RNA)
where:
Base-Base interactions energy: -133.698
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.584
local terms energy: -62.760009
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -193.897004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.897004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.010803 (E_RNA)
where:
Base-Base interactions energy: -130.501
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.081
local terms energy: -63.428045
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.114 (S_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: 449
Temperature: 1.350000
Total energy: -175.263400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.263400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.564249 (E_RNA)
where:
Base-Base interactions energy: -127.104
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.596
local terms energy: -55.863923
where:
bonds (distance) C4'-P energy: -7.016
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 8.301 (S_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: 450
Temperature: 0.900000
Total energy: -241.418250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.418250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.539182 (E_RNA)
where:
Base-Base interactions energy: -175.054
where: short stacking energy: -71.159
Base-Backbone interact. energy: -0.027
local terms energy: -66.457243
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -229.206347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.206347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.227613 (E_RNA)
where:
Base-Base interactions energy: -166.387
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.158
local terms energy: -62.682801
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -213.540644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.540644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.606929 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.192
local terms energy: -65.204783
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -212.414721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.414721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.437079 (E_RNA)
where:
Base-Base interactions energy: -157.623
where: short stacking energy: -63.060
Base-Backbone interact. energy: 1.043
local terms energy: -55.856573
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.022 (S_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: 450
Temperature: 1.100000
Total energy: -216.239761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.239761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.255077 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -67.956
Base-Backbone interact. energy: -0.575
local terms energy: -62.214194
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -185.994433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.994433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.418387 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -52.987
Base-Backbone interact. energy: 0.040
local terms energy: -65.422285
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 8.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -199.478836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.478836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.478836 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.021
local terms energy: -54.836362
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -199.679439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.679439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.682857 (E_RNA)
where:
Base-Base interactions energy: -142.124
where: short stacking energy: -51.582
Base-Backbone interact. energy: 1.633
local terms energy: -59.191501
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -194.703597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.703597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.850896 (E_RNA)
where:
Base-Base interactions energy: -135.159
where: short stacking energy: -48.846
Base-Backbone interact. energy: -0.002
local terms energy: -59.690055
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -168.110128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.110128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.370078 (E_RNA)
where:
Base-Base interactions energy: -119.045
where: short stacking energy: -50.053
Base-Backbone interact. energy: -0.661
local terms energy: -55.663512
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 7.260 (S_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: 451
Temperature: 0.900000
Total energy: -232.457426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.457426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.461547 (E_RNA)
where:
Base-Base interactions energy: -167.898
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.035
local terms energy: -64.527884
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.004 (S_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: 451
Temperature: 0.950000
Total energy: -219.893232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.893232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.908309 (E_RNA)
where:
Base-Base interactions energy: -156.476
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.029
local terms energy: -63.403003
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.015 (S_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: 451
Temperature: 1.000000
Total energy: -230.183035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.183035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.226378 (E_RNA)
where:
Base-Base interactions energy: -167.084
where: short stacking energy: -67.016
Base-Backbone interact. energy: -0.683
local terms energy: -62.459957
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.043 (S_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: 451
Temperature: 1.050000
Total energy: -230.873420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.873420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.877385 (E_RNA)
where:
Base-Base interactions energy: -171.166
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.004
local terms energy: -59.707288
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -215.539661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.539661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.574401 (E_RNA)
where:
Base-Base interactions energy: -149.648
where: short stacking energy: -62.487
Base-Backbone interact. energy: -0.280
local terms energy: -65.646731
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.035 (S_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: 451
Temperature: 1.150000
Total energy: -195.711940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.711940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.832988 (E_RNA)
where:
Base-Base interactions energy: -139.245
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.016
local terms energy: -56.572824
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -178.240614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.240614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.762685 (E_RNA)
where:
Base-Base interactions energy: -126.922
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.117
local terms energy: -57.723847
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 6.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -200.412123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.412123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.521274 (E_RNA)
where:
Base-Base interactions energy: -141.021
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.027
local terms energy: -59.473065
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -7.707
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.109 (S_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: 451
Temperature: 1.300000
Total energy: -192.339102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.339102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.463133 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -55.635
Base-Backbone interact. energy: 1.154
local terms energy: -59.388530
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -163.444862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.444862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.249385 (E_RNA)
where:
Base-Base interactions energy: -124.936
where: short stacking energy: -45.932
Base-Backbone interact. energy: 1.915
local terms energy: -48.228029
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 7.805 (S_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: 452
Temperature: 0.900000
Total energy: -236.943571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.943571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.992404 (E_RNA)
where:
Base-Base interactions energy: -173.284
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.061
local terms energy: -63.647919
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -230.601883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.601883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.673880 (E_RNA)
where:
Base-Base interactions energy: -166.920
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.005
local terms energy: -63.748936
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.072 (S_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: 452
Temperature: 1.000000
Total energy: -228.077378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.077378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.077522 (E_RNA)
where:
Base-Base interactions energy: -167.327
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.002
local terms energy: -60.748050
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -214.205937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.205937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.284716 (E_RNA)
where:
Base-Base interactions energy: -155.804
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.141
local terms energy: -58.339696
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -214.350258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.350258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.412642 (E_RNA)
where:
Base-Base interactions energy: -152.032
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.031
local terms energy: -62.349585
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.062 (S_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: 452
Temperature: 1.150000
Total energy: -193.969561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.969561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.969561 (E_RNA)
where:
Base-Base interactions energy: -138.906
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.083
local terms energy: -54.979837
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -11.071
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: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -196.307302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.307302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.471894 (E_RNA)
where:
Base-Base interactions energy: -135.200
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.052
local terms energy: -61.219748
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -182.072529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.072529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.106736 (E_RNA)
where:
Base-Base interactions energy: -133.202
where: short stacking energy: -58.214
Base-Backbone interact. energy: -1.271
local terms energy: -54.633567
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -4.554
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 7.034 (S_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: 452
Temperature: 1.300000
Total energy: -193.847478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.847478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.988461 (E_RNA)
where:
Base-Base interactions energy: -133.891
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.090
local terms energy: -60.007111
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.141 (S_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: 452
Temperature: 1.350000
Total energy: -181.090479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.090479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.071369 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.872
local terms energy: -58.863707
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 8.981 (S_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: 453
Temperature: 0.900000
Total energy: -241.926995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.926995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.993950 (E_RNA)
where:
Base-Base interactions energy: -175.793
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.031
local terms energy: -66.169807
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.067 (S_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: 453
Temperature: 0.950000
Total energy: -232.896640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.896640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.958328 (E_RNA)
where:
Base-Base interactions energy: -166.737
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.001
local terms energy: -66.219925
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -230.064979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.080472 (E_RNA)
where:
Base-Base interactions energy: -172.749
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.001
local terms energy: -57.329766
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.015 (S_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: 453
Temperature: 1.050000
Total energy: -214.287352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.287352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.322751 (E_RNA)
where:
Base-Base interactions energy: -148.924
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.001
local terms energy: -65.397920
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.035 (S_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: 453
Temperature: 1.100000
Total energy: -207.726766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858421 (E_RNA)
where:
Base-Base interactions energy: -161.706
where: short stacking energy: -64.629
Base-Backbone interact. energy: 0.589
local terms energy: -46.741125
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.132 (S_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: 453
Temperature: 1.150000
Total energy: -205.687343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.687343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.732095 (E_RNA)
where:
Base-Base interactions energy: -149.637
where: short stacking energy: -62.399
Base-Backbone interact. energy: 0.419
local terms energy: -56.513730
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -212.310088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.310088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428069 (E_RNA)
where:
Base-Base interactions energy: -147.864
where: short stacking energy: -55.074
Base-Backbone interact. energy: -0.041
local terms energy: -64.522832
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.118 (S_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: 453
Temperature: 1.250000
Total energy: -201.560775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.637964 (E_RNA)
where:
Base-Base interactions energy: -141.961
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.020
local terms energy: -59.657233
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.077 (S_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: 453
Temperature: 1.300000
Total energy: -186.504652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.504652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.479860 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.629
local terms energy: -57.304314
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 6.975 (S_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: 453
Temperature: 1.350000
Total energy: -177.589453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.589453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.355560 (E_RNA)
where:
Base-Base interactions energy: -130.556
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.657
local terms energy: -55.142447
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 8.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -241.099028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.099028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.111644 (E_RNA)
where:
Base-Base interactions energy: -171.328
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.258
local terms energy: -69.525322
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.013 (S_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: 454
Temperature: 0.950000
Total energy: -239.546436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.546436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.563799 (E_RNA)
where:
Base-Base interactions energy: -173.624
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.063
local terms energy: -65.876349
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -223.227297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.227297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.246633 (E_RNA)
where:
Base-Base interactions energy: -163.173
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.074
local terms energy: -59.999788
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -226.582205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.582205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.673250 (E_RNA)
where:
Base-Base interactions energy: -166.104
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.032
local terms energy: -60.536842
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.091 (S_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: 454
Temperature: 1.100000
Total energy: -207.205567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.205567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.228499 (E_RNA)
where:
Base-Base interactions energy: -149.669
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.002
local terms energy: -57.556921
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.023 (S_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: 454
Temperature: 1.150000
Total energy: -202.372989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.372989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.404056 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -55.380
Base-Backbone interact. energy: -0.001
local terms energy: -62.178472
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.031 (S_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: 454
Temperature: 1.200000
Total energy: -199.315270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.315270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469690 (E_RNA)
where:
Base-Base interactions energy: -134.362
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.070
local terms energy: -65.036960
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -201.833296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.833296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.211527 (E_RNA)
where:
Base-Base interactions energy: -145.023
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.211
local terms energy: -56.976970
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.378 (S_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: 454
Temperature: 1.300000
Total energy: -181.780552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.780552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.219141 (E_RNA)
where:
Base-Base interactions energy: -127.887
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.045
local terms energy: -61.287946
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 7.439 (S_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: 454
Temperature: 1.350000
Total energy: -172.703538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.663876 (E_RNA)
where:
Base-Base interactions energy: -121.351
where: short stacking energy: -52.204
Base-Backbone interact. energy: -0.498
local terms energy: -58.814586
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 7.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -235.253331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.253331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.253331 (E_RNA)
where:
Base-Base interactions energy: -169.474
where: short stacking energy: -69.149
Base-Backbone interact. energy: -0.006
local terms energy: -65.773355
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -221.658932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.658932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.861567 (E_RNA)
where:
Base-Base interactions energy: -155.398
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.329
local terms energy: -66.134404
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.203 (S_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: 455
Temperature: 1.000000
Total energy: -234.333093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.333093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.371461 (E_RNA)
where:
Base-Base interactions energy: -169.743
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.321
local terms energy: -64.307651
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -208.042052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.042052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.079806 (E_RNA)
where:
Base-Base interactions energy: -146.894
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.100
local terms energy: -61.086070
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.038 (S_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: 455
Temperature: 1.100000
Total energy: -225.287647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.287647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.287910 (E_RNA)
where:
Base-Base interactions energy: -166.726
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.002
local terms energy: -58.560071
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -1.120
tors. eta vs tors. theta energy: -16.167
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: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -203.715711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.715711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.834794 (E_RNA)
where:
Base-Base interactions energy: -150.256
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.490
local terms energy: -53.089537
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.119 (S_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: 455
Temperature: 1.200000
Total energy: -199.931673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.931673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.946892 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.001
local terms energy: -57.787487
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.015 (S_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: 455
Temperature: 1.250000
Total energy: -178.170705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.170705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.411785 (E_RNA)
where:
Base-Base interactions energy: -127.767
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.049
local terms energy: -57.595806
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 7.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -191.993695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.993695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.027088 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -59.505
Base-Backbone interact. energy: -0.005
local terms energy: -48.545885
where:
bonds (distance) C4'-P energy: -2.104
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.033 (S_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: 455
Temperature: 1.350000
Total energy: -167.511276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.511276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.742425 (E_RNA)
where:
Base-Base interactions energy: -117.447
where: short stacking energy: -48.942
Base-Backbone interact. energy: -0.379
local terms energy: -56.916098
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 7.231 (S_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: 456
Temperature: 0.900000
Total energy: -240.303644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.303644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.406833 (E_RNA)
where:
Base-Base interactions energy: -176.320
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.002
local terms energy: -64.084954
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -217.083993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.083993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.197328 (E_RNA)
where:
Base-Base interactions energy: -150.950
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.104
local terms energy: -66.142704
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.113 (S_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: 456
Temperature: 1.000000
Total energy: -231.491861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.491861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.494607 (E_RNA)
where:
Base-Base interactions energy: -175.475
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.008
local terms energy: -56.012244
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -1.813
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.003 (S_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: 456
Temperature: 1.050000
Total energy: -203.608214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.608214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.754632 (E_RNA)
where:
Base-Base interactions energy: -139.449
where: short stacking energy: -55.837
Base-Backbone interact. energy: -0.058
local terms energy: -64.247935
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -208.392114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.392114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.547048 (E_RNA)
where:
Base-Base interactions energy: -154.759
where: short stacking energy: -56.368
Base-Backbone interact. energy: -0.304
local terms energy: -53.483482
where:
bonds (distance) C4'-P energy: -7.739
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.155 (S_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: 456
Temperature: 1.150000
Total energy: -212.985311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.985311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.082329 (E_RNA)
where:
Base-Base interactions energy: -153.122
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.103
local terms energy: -59.856654
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.097 (S_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: 456
Temperature: 1.200000
Total energy: -207.950822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.003112 (E_RNA)
where:
Base-Base interactions energy: -144.088
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.273
local terms energy: -63.642380
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -182.784054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.784054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175563 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.674
local terms energy: -50.290669
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -6.721
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 7.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -196.559289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.559289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.689645 (E_RNA)
where:
Base-Base interactions energy: -139.949
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.009
local terms energy: -56.730910
where:
bonds (distance) C4'-P energy: -7.320
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.130 (S_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: 456
Temperature: 1.350000
Total energy: -170.765579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.765579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.304994 (E_RNA)
where:
Base-Base interactions energy: -120.125
where: short stacking energy: -50.982
Base-Backbone interact. energy: -0.297
local terms energy: -57.883867
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -9.366
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 7.539 (S_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: 457
Temperature: 0.900000
Total energy: -238.181170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.181170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.327481 (E_RNA)
where:
Base-Base interactions energy: -174.296
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.986
local terms energy: -63.044637
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -15.580
Dist. restrs. and SS energy: 0.146 (S_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: 457
Temperature: 0.950000
Total energy: -232.080168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.080168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.148085 (E_RNA)
where:
Base-Base interactions energy: -174.004
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.098
local terms energy: -58.046537
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -223.325185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.325185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.339408 (E_RNA)
where:
Base-Base interactions energy: -162.341
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.005
local terms energy: -60.993395
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.014 (S_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: 457
Temperature: 1.050000
Total energy: -206.332278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.332278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.356655 (E_RNA)
where:
Base-Base interactions energy: -143.929
where: short stacking energy: -57.976
Base-Backbone interact. energy: -0.008
local terms energy: -62.419804
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -8.359
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.024 (S_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: 457
Temperature: 1.100000
Total energy: -210.229883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.229883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.470926 (E_RNA)
where:
Base-Base interactions energy: -152.693
where: short stacking energy: -59.866
Base-Backbone interact. energy: -0.403
local terms energy: -57.374782
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -2.349
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.241 (S_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: 457
Temperature: 1.150000
Total energy: -203.334476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.334476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.349080 (E_RNA)
where:
Base-Base interactions energy: -139.759
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.000
local terms energy: -63.589200
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.015 (S_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: 457
Temperature: 1.200000
Total energy: -195.315428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.315428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.618161 (E_RNA)
where:
Base-Base interactions energy: -133.924
where: short stacking energy: -54.174
Base-Backbone interact. energy: -0.127
local terms energy: -61.566699
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -194.285437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.285437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.552454 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.058
local terms energy: -53.653414
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -7.138
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -173.950731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.950731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364000 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -48.891
Base-Backbone interact. energy: -0.555
local terms energy: -60.586198
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 7.413 (S_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: 457
Temperature: 1.350000
Total energy: -172.383805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.194605 (E_RNA)
where:
Base-Base interactions energy: -129.075
where: short stacking energy: -51.190
Base-Backbone interact. energy: -0.123
local terms energy: -47.997083
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 4.811 (S_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: 458
Temperature: 0.900000
Total energy: -233.224279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.224279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.259461 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.007
local terms energy: -65.563499
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.035 (S_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: 458
Temperature: 0.950000
Total energy: -229.270741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.270741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.388309 (E_RNA)
where:
Base-Base interactions energy: -166.638
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.249
local terms energy: -62.501415
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.118 (S_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: 458
Temperature: 1.000000
Total energy: -217.678857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.678857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.749561 (E_RNA)
where:
Base-Base interactions energy: -160.326
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.518
local terms energy: -56.905521
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.071 (S_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: 458
Temperature: 1.050000
Total energy: -213.148761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.148761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.161014 (E_RNA)
where:
Base-Base interactions energy: -142.653
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.000
local terms energy: -70.507279
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.012 (S_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: 458
Temperature: 1.100000
Total energy: -209.865144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.865144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.947387 (E_RNA)
where:
Base-Base interactions energy: -150.051
where: short stacking energy: -58.436
Base-Backbone interact. energy: -0.099
local terms energy: -59.797010
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.082 (S_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: 458
Temperature: 1.150000
Total energy: -208.213674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.213674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.245590 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -56.867
Base-Backbone interact. energy: -0.205
local terms energy: -66.653867
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -199.822300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.822300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.963290 (E_RNA)
where:
Base-Base interactions energy: -150.985
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.054
local terms energy: -48.924447
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.141 (S_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: 458
Temperature: 1.250000
Total energy: -199.376619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.418192 (E_RNA)
where:
Base-Base interactions energy: -141.572
where: short stacking energy: -56.869
Base-Backbone interact. energy: -1.039
local terms energy: -56.806846
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.042 (S_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: 458
Temperature: 1.300000
Total energy: -165.096094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.096094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.794554 (E_RNA)
where:
Base-Base interactions energy: -119.715
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.170
local terms energy: -51.909367
where:
bonds (distance) C4'-P energy: -8.016
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 6.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -179.276738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.276738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.492804 (E_RNA)
where:
Base-Base interactions energy: -130.983
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.003
local terms energy: -56.506885
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 8.216 (S_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: 459
Temperature: 0.900000
Total energy: -215.981985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.981985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.993622 (E_RNA)
where:
Base-Base interactions energy: -153.144
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.193
local terms energy: -62.656197
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.012 (S_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: 459
Temperature: 0.950000
Total energy: -223.969034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.969034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.979789 (E_RNA)
where:
Base-Base interactions energy: -166.972
where: short stacking energy: -65.345
Base-Backbone interact. energy: 0.287
local terms energy: -57.294923
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -229.193253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.193253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.204424 (E_RNA)
where:
Base-Base interactions energy: -170.312
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.508
local terms energy: -58.384976
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.011 (S_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: 459
Temperature: 1.050000
Total energy: -210.011111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.011111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.011111 (E_RNA)
where:
Base-Base interactions energy: -146.263
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.331
local terms energy: -63.417053
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -213.361513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.361513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.417926 (E_RNA)
where:
Base-Base interactions energy: -155.874
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.068
local terms energy: -57.476586
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.056 (S_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: 459
Temperature: 1.150000
Total energy: -205.618752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.618752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.714674 (E_RNA)
where:
Base-Base interactions energy: -144.870
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.001
local terms energy: -60.843454
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -202.298068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.298068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362462 (E_RNA)
where:
Base-Base interactions energy: -144.050
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.015
local terms energy: -58.298119
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.064 (S_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: 459
Temperature: 1.250000
Total energy: -197.056171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.056171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.136632 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -61.317
Base-Backbone interact. energy: -0.209
local terms energy: -56.178736
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.080 (S_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: 459
Temperature: 1.300000
Total energy: -183.185686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.185686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175054 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.020
local terms energy: -53.714919
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -6.994
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 6.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -177.419199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.419199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.014019 (E_RNA)
where:
Base-Base interactions energy: -122.103
where: short stacking energy: -53.894
Base-Backbone interact. energy: -1.336
local terms energy: -62.574302
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 8.595 (S_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: 460
Temperature: 0.900000
Total energy: -236.731794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.731794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.833003 (E_RNA)
where:
Base-Base interactions energy: -176.438
where: short stacking energy: -70.232
Base-Backbone interact. energy: -1.193
local terms energy: -59.201195
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.101 (S_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: 460
Temperature: 0.950000
Total energy: -221.210197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.210197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.232554 (E_RNA)
where:
Base-Base interactions energy: -150.531
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.000
local terms energy: -70.700976
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.022 (S_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: 460
Temperature: 1.000000
Total energy: -223.688119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.688119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.688119 (E_RNA)
where:
Base-Base interactions energy: -165.305
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.800
local terms energy: -57.582962
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -214.016359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.016359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.066762 (E_RNA)
where:
Base-Base interactions energy: -149.382
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.000
local terms energy: -64.684750
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -207.290839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.290839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.363402 (E_RNA)
where:
Base-Base interactions energy: -151.238
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.064
local terms energy: -56.061370
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -7.396
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.073 (S_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: 460
Temperature: 1.150000
Total energy: -212.135413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.135413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.135413 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.004
local terms energy: -56.414275
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -196.784407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.784407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.818559 (E_RNA)
where:
Base-Base interactions energy: -153.090
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.292
local terms energy: -43.436056
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -3.699
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -192.621556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.621556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.706569 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.664
local terms energy: -54.117290
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -165.651223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.651223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.066256 (E_RNA)
where:
Base-Base interactions energy: -120.445
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.235
local terms energy: -53.386711
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 8.415 (S_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: 460
Temperature: 1.350000
Total energy: -169.850210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.850210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.584596 (E_RNA)
where:
Base-Base interactions energy: -129.458
where: short stacking energy: -50.288
Base-Backbone interact. energy: -0.129
local terms energy: -46.997451
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 6.734 (S_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: 461
Temperature: 0.900000
Total energy: -233.903104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.903104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.965854 (E_RNA)
where:
Base-Base interactions energy: -169.588
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.416
local terms energy: -63.961869
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.063 (S_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: 461
Temperature: 0.950000
Total energy: -235.768768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.768768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.998487 (E_RNA)
where:
Base-Base interactions energy: -168.748
where: short stacking energy: -68.489
Base-Backbone interact. energy: -0.035
local terms energy: -67.215321
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.230 (S_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: 461
Temperature: 1.000000
Total energy: -206.917962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.917962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.933369 (E_RNA)
where:
Base-Base interactions energy: -141.554
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.001
local terms energy: -65.378182
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -213.620985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.620985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.665407 (E_RNA)
where:
Base-Base interactions energy: -149.662
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.001
local terms energy: -64.002045
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.044 (S_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: 461
Temperature: 1.100000
Total energy: -206.649959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.649959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696749 (E_RNA)
where:
Base-Base interactions energy: -144.451
where: short stacking energy: -59.113
Base-Backbone interact. energy: 0.475
local terms energy: -62.720746
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.047 (S_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: 461
Temperature: 1.150000
Total energy: -215.830397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.830397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.850816 (E_RNA)
where:
Base-Base interactions energy: -160.219
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.001
local terms energy: -55.631111
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -197.601063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.601063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.649774 (E_RNA)
where:
Base-Base interactions energy: -142.083
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.041
local terms energy: -55.525853
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -6.714
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -180.910606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.910606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.470701 (E_RNA)
where:
Base-Base interactions energy: -129.612
where: short stacking energy: -55.629
Base-Backbone interact. energy: -0.007
local terms energy: -58.851484
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 7.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -190.959993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.009153 (E_RNA)
where:
Base-Base interactions energy: -140.784
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.504
local terms energy: -49.720880
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.049 (S_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: 461
Temperature: 1.350000
Total energy: -167.693221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.693221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.709178 (E_RNA)
where:
Base-Base interactions energy: -118.170
where: short stacking energy: -52.754
Base-Backbone interact. energy: -0.539
local terms energy: -56.999656
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 8.016 (S_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: 462
Temperature: 0.900000
Total energy: -239.728831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.728831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.728831 (E_RNA)
where:
Base-Base interactions energy: -176.923
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.447
local terms energy: -62.358644
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -234.028626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.028626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.081603 (E_RNA)
where:
Base-Base interactions energy: -173.677
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.002
local terms energy: -60.402178
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -214.809218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.809218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.899370 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -63.826
Base-Backbone interact. energy: 0.790
local terms energy: -64.774144
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -6.280
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.090 (S_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: 462
Temperature: 1.050000
Total energy: -216.225553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.225553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236403 (E_RNA)
where:
Base-Base interactions energy: -151.348
where: short stacking energy: -63.214
Base-Backbone interact. energy: -0.004
local terms energy: -64.884686
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.011 (S_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: 462
Temperature: 1.100000
Total energy: -218.128087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.128087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.180880 (E_RNA)
where:
Base-Base interactions energy: -161.293
where: short stacking energy: -64.391
Base-Backbone interact. energy: -0.100
local terms energy: -56.788195
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.053 (S_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: 462
Temperature: 1.150000
Total energy: -203.059155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.059155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.121293 (E_RNA)
where:
Base-Base interactions energy: -144.296
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.050
local terms energy: -58.774941
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -198.651130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.651130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687408 (E_RNA)
where:
Base-Base interactions energy: -138.614
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.085
local terms energy: -59.988389
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -174.511330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.511330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.590737 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -53.364
Base-Backbone interact. energy: -0.002
local terms energy: -55.741597
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 8.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -195.035578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.035578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.043724 (E_RNA)
where:
Base-Base interactions energy: -136.448
where: short stacking energy: -59.200
Base-Backbone interact. energy: -0.008
local terms energy: -58.587279
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -9.201
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.008 (S_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: 462
Temperature: 1.350000
Total energy: -181.923292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.250284 (E_RNA)
where:
Base-Base interactions energy: -130.850
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.708
local terms energy: -58.691524
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 8.327 (S_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: 463
Temperature: 0.900000
Total energy: -236.539034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.539034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.539034 (E_RNA)
where:
Base-Base interactions energy: -168.370
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.243
local terms energy: -67.926310
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -213.483046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.483046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.488558 (E_RNA)
where:
Base-Base interactions energy: -156.238
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.329
local terms energy: -56.920752
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -213.159223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.201591 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -58.071
Base-Backbone interact. energy: -0.325
local terms energy: -61.961396
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -229.079250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.079250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.098329 (E_RNA)
where:
Base-Base interactions energy: -165.199
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.007
local terms energy: -63.892710
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.019 (S_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: 463
Temperature: 1.100000
Total energy: -206.709256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.709256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.714467 (E_RNA)
where:
Base-Base interactions energy: -147.227
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.053
local terms energy: -59.433988
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -7.702
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.005 (S_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: 463
Temperature: 1.150000
Total energy: -200.274735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.274735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.294600 (E_RNA)
where:
Base-Base interactions energy: -141.913
where: short stacking energy: -58.073
Base-Backbone interact. energy: -0.003
local terms energy: -58.378703
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -206.418517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.418517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.492831 (E_RNA)
where:
Base-Base interactions energy: -145.078
where: short stacking energy: -67.257
Base-Backbone interact. energy: -0.000
local terms energy: -61.414279
where:
bonds (distance) C4'-P energy: -6.650
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -18.499
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -193.931762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.931762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.976215 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -49.015
Base-Backbone interact. energy: -0.138
local terms energy: -59.546413
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -178.222851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.222851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.200332 (E_RNA)
where:
Base-Base interactions energy: -130.031
where: short stacking energy: -49.681
Base-Backbone interact. energy: -0.165
local terms energy: -56.004423
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 7.977 (S_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: 463
Temperature: 1.350000
Total energy: -177.182772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.704174 (E_RNA)
where:
Base-Base interactions energy: -125.269
where: short stacking energy: -62.224
Base-Backbone interact. energy: -0.024
local terms energy: -60.412027
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -9.197
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 8.521 (S_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: 464
Temperature: 0.900000
Total energy: -242.365396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.365396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.481503 (E_RNA)
where:
Base-Base interactions energy: -175.436
where: short stacking energy: -73.206
Base-Backbone interact. energy: -0.726
local terms energy: -66.319867
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.116 (S_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: 464
Temperature: 0.950000
Total energy: -221.420501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.420501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.428040 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -68.359
Base-Backbone interact. energy: 0.266
local terms energy: -65.594507
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -225.526134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.526134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.529255 (E_RNA)
where:
Base-Base interactions energy: -165.408
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.251
local terms energy: -59.870505
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -211.949476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.949476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.958612 (E_RNA)
where:
Base-Base interactions energy: -151.501
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.001
local terms energy: -60.457311
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.009 (S_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: 464
Temperature: 1.100000
Total energy: -205.758317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.932640 (E_RNA)
where:
Base-Base interactions energy: -146.827
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.065
local terms energy: -59.041479
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.174 (S_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: 464
Temperature: 1.150000
Total energy: -226.682639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.682639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.754594 (E_RNA)
where:
Base-Base interactions energy: -164.706
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.206
local terms energy: -61.842860
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -202.007596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.007596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.115913 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -59.058
Base-Backbone interact. energy: 0.440
local terms energy: -60.868584
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -197.226988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.226988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.253819 (E_RNA)
where:
Base-Base interactions energy: -141.501
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.226
local terms energy: -55.527400
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.027 (S_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: 464
Temperature: 1.300000
Total energy: -183.975311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.975311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.034637 (E_RNA)
where:
Base-Base interactions energy: -134.322
where: short stacking energy: -56.178
Base-Backbone interact. energy: -1.423
local terms energy: -55.289686
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 7.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -176.261259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.261259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478758 (E_RNA)
where:
Base-Base interactions energy: -128.631
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.685
local terms energy: -55.163300
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: 8.217 (S_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: 465
Temperature: 0.900000
Total energy: -236.094797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.094797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.161234 (E_RNA)
where:
Base-Base interactions energy: -169.563
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.037
local terms energy: -66.561874
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.066 (S_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: 465
Temperature: 0.950000
Total energy: -224.728530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.728530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772985 (E_RNA)
where:
Base-Base interactions energy: -160.194
where: short stacking energy: -63.975
Base-Backbone interact. energy: -0.010
local terms energy: -64.568326
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.044 (S_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: 465
Temperature: 1.000000
Total energy: -213.298728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.298728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.441666 (E_RNA)
where:
Base-Base interactions energy: -152.243
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.002
local terms energy: -61.196376
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.143 (S_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: 465
Temperature: 1.050000
Total energy: -201.105287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.268606 (E_RNA)
where:
Base-Base interactions energy: -140.284
where: short stacking energy: -55.557
Base-Backbone interact. energy: -0.126
local terms energy: -60.857906
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -208.029016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.029016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.203773 (E_RNA)
where:
Base-Base interactions energy: -152.106
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.000
local terms energy: -56.097657
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.175 (S_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: 465
Temperature: 1.150000
Total energy: -203.561011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.561011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.589697 (E_RNA)
where:
Base-Base interactions energy: -141.830
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.074
local terms energy: -61.685808
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.029 (S_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: 465
Temperature: 1.200000
Total energy: -200.455233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.455233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.455233 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.061
local terms energy: -56.929783
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -208.922730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.922730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.925906 (E_RNA)
where:
Base-Base interactions energy: -143.519
where: short stacking energy: -59.359
Base-Backbone interact. energy: 0.129
local terms energy: -65.535492
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.003 (S_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: 465
Temperature: 1.300000
Total energy: -174.538380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.538380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.920441 (E_RNA)
where:
Base-Base interactions energy: -126.743
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.009
local terms energy: -56.168970
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 8.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -164.594467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.594467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.944109 (E_RNA)
where:
Base-Base interactions energy: -117.339
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.002
local terms energy: -53.602996
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 6.350 (S_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: 466
Temperature: 0.900000
Total energy: -233.226112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.226112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.289517 (E_RNA)
where:
Base-Base interactions energy: -168.652
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.027
local terms energy: -64.610698
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.063 (S_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: 466
Temperature: 0.950000
Total energy: -222.391099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.391099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.424857 (E_RNA)
where:
Base-Base interactions energy: -162.673
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.009
local terms energy: -59.742860
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -228.291225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.291225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.324844 (E_RNA)
where:
Base-Base interactions energy: -167.478
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.149
local terms energy: -60.697076
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.034 (S_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: 466
Temperature: 1.050000
Total energy: -216.648195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752109 (E_RNA)
where:
Base-Base interactions energy: -159.661
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.074
local terms energy: -57.016548
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.104 (S_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: 466
Temperature: 1.100000
Total energy: -210.325363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.325363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.340177 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.002
local terms energy: -62.215787
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.015 (S_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: 466
Temperature: 1.150000
Total energy: -213.345300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.345300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593110 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -67.275
Base-Backbone interact. energy: 0.289
local terms energy: -65.601479
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -217.581820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.581820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.645706 (E_RNA)
where:
Base-Base interactions energy: -163.018
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.004
local terms energy: -54.623698
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -197.536504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.536504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.634161 (E_RNA)
where:
Base-Base interactions energy: -139.114
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.085
local terms energy: -58.434905
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -186.604298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.604298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507609 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.041
local terms energy: -54.255287
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -7.464
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 7.903 (S_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: 466
Temperature: 1.350000
Total energy: -167.645033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.645033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947355 (E_RNA)
where:
Base-Base interactions energy: -123.178
where: short stacking energy: -50.958
Base-Backbone interact. energy: -1.587
local terms energy: -51.181987
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -3.300
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 8.302 (S_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: 467
Temperature: 0.900000
Total energy: -232.408187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.408187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.494774 (E_RNA)
where:
Base-Base interactions energy: -170.854
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.068
local terms energy: -61.573131
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -236.911039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.911039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.010779 (E_RNA)
where:
Base-Base interactions energy: -174.690
where: short stacking energy: -70.724
Base-Backbone interact. energy: -0.661
local terms energy: -61.659273
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -216.550609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.550609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.605874 (E_RNA)
where:
Base-Base interactions energy: -151.039
where: short stacking energy: -60.677
Base-Backbone interact. energy: -0.110
local terms energy: -65.456270
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.055 (S_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: 467
Temperature: 1.050000
Total energy: -219.566168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.566168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.568065 (E_RNA)
where:
Base-Base interactions energy: -156.105
where: short stacking energy: -59.354
Base-Backbone interact. energy: -0.166
local terms energy: -63.297164
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.002 (S_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: 467
Temperature: 1.100000
Total energy: -201.795974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.795974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.969482 (E_RNA)
where:
Base-Base interactions energy: -139.020
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.324
local terms energy: -62.625715
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -226.736286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.736286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.786096 (E_RNA)
where:
Base-Base interactions energy: -172.141
where: short stacking energy: -71.264
Base-Backbone interact. energy: -0.424
local terms energy: -54.221334
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -203.927796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.927796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.927796 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -59.276
Base-Backbone interact. energy: 1.597
local terms energy: -60.025922
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -14.897
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: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -194.643756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.643756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.776518 (E_RNA)
where:
Base-Base interactions energy: -135.543
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.004
local terms energy: -59.229618
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -187.515231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.515231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.200340 (E_RNA)
where:
Base-Base interactions energy: -135.581
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.480
local terms energy: -59.139686
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -8.336
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 7.685 (S_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: 467
Temperature: 1.350000
Total energy: -179.712429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.712429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.189738 (E_RNA)
where:
Base-Base interactions energy: -131.851
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.097
local terms energy: -55.242084
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 7.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -232.970671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.007811 (E_RNA)
where:
Base-Base interactions energy: -174.335
where: short stacking energy: -66.147
Base-Backbone interact. energy: 0.328
local terms energy: -59.000774
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.037 (S_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: 468
Temperature: 0.950000
Total energy: -232.090697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.090697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.114994 (E_RNA)
where:
Base-Base interactions energy: -170.403
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.412
local terms energy: -61.299177
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.024 (S_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: 468
Temperature: 1.000000
Total energy: -222.941760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.941760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.966357 (E_RNA)
where:
Base-Base interactions energy: -158.326
where: short stacking energy: -52.950
Base-Backbone interact. energy: -0.070
local terms energy: -64.571108
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -225.771850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.771850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.771850 (E_RNA)
where:
Base-Base interactions energy: -164.624
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.317
local terms energy: -60.831398
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -16.534
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: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -206.616743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.727840 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.041
local terms energy: -58.113006
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -6.749
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.111 (S_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: 468
Temperature: 1.150000
Total energy: -220.449636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.449636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567100 (E_RNA)
where:
Base-Base interactions energy: -157.436
where: short stacking energy: -63.791
Base-Backbone interact. energy: -0.001
local terms energy: -63.129724
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -196.969917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.969917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.115451 (E_RNA)
where:
Base-Base interactions energy: -144.429
where: short stacking energy: -60.327
Base-Backbone interact. energy: 1.582
local terms energy: -54.267711
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -194.381565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.381565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.381565 (E_RNA)
where:
Base-Base interactions energy: -138.692
where: short stacking energy: -46.992
Base-Backbone interact. energy: -0.647
local terms energy: -55.042171
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -179.395984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.395984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.879120 (E_RNA)
where:
Base-Base interactions energy: -129.625
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.046
local terms energy: -56.208602
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 6.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -173.631495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.631495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.840017 (E_RNA)
where:
Base-Base interactions energy: -126.787
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.269
local terms energy: -54.784443
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -7.091
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 8.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -231.587281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.587281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.658898 (E_RNA)
where:
Base-Base interactions energy: -167.207
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.228
local terms energy: -64.224473
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.072 (S_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: 469
Temperature: 0.950000
Total energy: -228.995066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.995066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.036610 (E_RNA)
where:
Base-Base interactions energy: -164.521
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.283
local terms energy: -64.231967
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -232.480745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.480745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.482578 (E_RNA)
where:
Base-Base interactions energy: -171.821
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.012
local terms energy: -60.649403
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.002 (S_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: 469
Temperature: 1.050000
Total energy: -214.081260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.081260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.103006 (E_RNA)
where:
Base-Base interactions energy: -148.603
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.002
local terms energy: -65.498101
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.022 (S_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: 469
Temperature: 1.100000
Total energy: -218.431329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.472081 (E_RNA)
where:
Base-Base interactions energy: -154.732
where: short stacking energy: -60.216
Base-Backbone interact. energy: 0.119
local terms energy: -63.858970
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.041 (S_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: 469
Temperature: 1.150000
Total energy: -204.455492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.455492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.466338 (E_RNA)
where:
Base-Base interactions energy: -151.109
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.004
local terms energy: -53.352962
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -205.612855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.612855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.665236 (E_RNA)
where:
Base-Base interactions energy: -143.505
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.670
local terms energy: -61.489936
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -207.407040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.407040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.516496 (E_RNA)
where:
Base-Base interactions energy: -144.367
where: short stacking energy: -58.263
Base-Backbone interact. energy: 2.677
local terms energy: -65.827075
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.109 (S_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: 469
Temperature: 1.300000
Total energy: -173.849699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.849699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.797527 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -51.560
Base-Backbone interact. energy: -1.149
local terms energy: -56.513635
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 7.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -173.220588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.220588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.133165 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.015
local terms energy: -66.511086
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 5.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -235.205213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.205213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.226887 (E_RNA)
where:
Base-Base interactions energy: -170.430
where: short stacking energy: -70.174
Base-Backbone interact. energy: -0.564
local terms energy: -64.232736
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.022 (S_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: 470
Temperature: 0.950000
Total energy: -236.054786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.054786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.132715 (E_RNA)
where:
Base-Base interactions energy: -176.288
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.186
local terms energy: -59.659408
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.078 (S_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: 470
Temperature: 1.000000
Total energy: -223.644255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.644255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.644255 (E_RNA)
where:
Base-Base interactions energy: -163.481
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.021
local terms energy: -60.143044
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -217.429022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.429022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.465996 (E_RNA)
where:
Base-Base interactions energy: -158.242
where: short stacking energy: -60.048
Base-Backbone interact. energy: -0.002
local terms energy: -59.222551
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.037 (S_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: 470
Temperature: 1.100000
Total energy: -208.941181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.941181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.020055 (E_RNA)
where:
Base-Base interactions energy: -143.493
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.116
local terms energy: -65.411009
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.079 (S_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: 470
Temperature: 1.150000
Total energy: -203.397866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.517037 (E_RNA)
where:
Base-Base interactions energy: -140.948
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.347
local terms energy: -62.222523
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.119 (S_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: 470
Temperature: 1.200000
Total energy: -204.557720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.557720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.635263 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.001
local terms energy: -60.500047
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -200.124584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.124584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.395138 (E_RNA)
where:
Base-Base interactions energy: -134.875
where: short stacking energy: -52.068
Base-Backbone interact. energy: 0.039
local terms energy: -65.558813
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.271 (S_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: 470
Temperature: 1.300000
Total energy: -161.452757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.452757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.424182 (E_RNA)
where:
Base-Base interactions energy: -127.385
where: short stacking energy: -43.744
Base-Backbone interact. energy: -0.153
local terms energy: -41.886126
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -4.369
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 7.971 (S_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: 470
Temperature: 1.350000
Total energy: -171.262935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.262935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.164980 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.843
local terms energy: -56.841297
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 9.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -237.223878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.223878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.223878 (E_RNA)
where:
Base-Base interactions energy: -167.607
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.002
local terms energy: -69.614925
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -235.847157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.847157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.045838 (E_RNA)
where:
Base-Base interactions energy: -169.353
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.402
local terms energy: -66.290868
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.199 (S_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: 471
Temperature: 1.000000
Total energy: -221.369664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.369664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.421478 (E_RNA)
where:
Base-Base interactions energy: -156.195
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.084
local terms energy: -65.142170
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -217.113958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.113958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.149861 (E_RNA)
where:
Base-Base interactions energy: -161.931
where: short stacking energy: -63.667
Base-Backbone interact. energy: -0.174
local terms energy: -55.044562
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -205.610985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.610985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.680486 (E_RNA)
where:
Base-Base interactions energy: -141.899
where: short stacking energy: -58.645
Base-Backbone interact. energy: -0.001
local terms energy: -63.780205
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.070 (S_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: 471
Temperature: 1.150000
Total energy: -212.298205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.298205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.421874 (E_RNA)
where:
Base-Base interactions energy: -154.992
where: short stacking energy: -63.594
Base-Backbone interact. energy: -0.138
local terms energy: -57.292228
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -201.764698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.764698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.936615 (E_RNA)
where:
Base-Base interactions energy: -141.894
where: short stacking energy: -52.903
Base-Backbone interact. energy: -0.028
local terms energy: -60.014791
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -198.104488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.104488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.211927 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.000
local terms energy: -58.693407
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.107 (S_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: 471
Temperature: 1.300000
Total energy: -185.346165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.346165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.828310 (E_RNA)
where:
Base-Base interactions energy: -142.751
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.072
local terms energy: -50.005858
where:
bonds (distance) C4'-P energy: -6.518
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 7.482 (S_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: 471
Temperature: 1.350000
Total energy: -160.400323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.400323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850027 (E_RNA)
where:
Base-Base interactions energy: -113.229
where: short stacking energy: -45.044
Base-Backbone interact. energy: -0.411
local terms energy: -57.210487
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 10.450 (S_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: 472
Temperature: 0.900000
Total energy: -231.108656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.108656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.130675 (E_RNA)
where:
Base-Base interactions energy: -168.282
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.002
local terms energy: -62.846232
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.022 (S_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: 472
Temperature: 0.950000
Total energy: -229.244057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.244057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.244057 (E_RNA)
where:
Base-Base interactions energy: -164.671
where: short stacking energy: -63.272
Base-Backbone interact. energy: -0.032
local terms energy: -64.540680
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -211.313363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.313363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.322505 (E_RNA)
where:
Base-Base interactions energy: -151.410
where: short stacking energy: -64.229
Base-Backbone interact. energy: -0.206
local terms energy: -59.706394
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.009 (S_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: 472
Temperature: 1.050000
Total energy: -224.125248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.125248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.156525 (E_RNA)
where:
Base-Base interactions energy: -163.334
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.011
local terms energy: -60.811806
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -206.878846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.878846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.884517 (E_RNA)
where:
Base-Base interactions energy: -139.247
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.062
local terms energy: -67.575234
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.006 (S_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: 472
Temperature: 1.150000
Total energy: -202.864723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.864723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902619 (E_RNA)
where:
Base-Base interactions energy: -138.429
where: short stacking energy: -56.327
Base-Backbone interact. energy: -0.074
local terms energy: -64.399536
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.038 (S_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: 472
Temperature: 1.200000
Total energy: -200.170162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.264642 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.002
local terms energy: -59.812047
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -200.976726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.976726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.117405 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -55.826
Base-Backbone interact. energy: 0.354
local terms energy: -58.542193
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.141 (S_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: 472
Temperature: 1.300000
Total energy: -182.345504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.345504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.409391 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.011
local terms energy: -68.529892
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 8.064 (S_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: 472
Temperature: 1.350000
Total energy: -173.063979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.063979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.146839 (E_RNA)
where:
Base-Base interactions energy: -124.696
where: short stacking energy: -48.302
Base-Backbone interact. energy: -0.542
local terms energy: -54.907935
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 7.083 (S_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: 473
Temperature: 0.900000
Total energy: -228.317387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.317387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.332180 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.002
local terms energy: -67.065485
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.015 (S_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: 473
Temperature: 0.950000
Total energy: -220.489721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.489721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.575953 (E_RNA)
where:
Base-Base interactions energy: -149.620
where: short stacking energy: -63.918
Base-Backbone interact. energy: 0.528
local terms energy: -71.484220
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.086 (S_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: 473
Temperature: 1.000000
Total energy: -225.495226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.495226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.496563 (E_RNA)
where:
Base-Base interactions energy: -162.039
where: short stacking energy: -66.505
Base-Backbone interact. energy: -0.001
local terms energy: -63.455721
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.001 (S_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: 473
Temperature: 1.050000
Total energy: -216.514806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.514806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.713019 (E_RNA)
where:
Base-Base interactions energy: -161.989
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.141
local terms energy: -54.582916
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.198 (S_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: 473
Temperature: 1.100000
Total energy: -209.950275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.950275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.988140 (E_RNA)
where:
Base-Base interactions energy: -148.555
where: short stacking energy: -60.526
Base-Backbone interact. energy: -0.004
local terms energy: -61.429014
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.038 (S_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: 473
Temperature: 1.150000
Total energy: -204.792445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.792445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828512 (E_RNA)
where:
Base-Base interactions energy: -141.005
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.086
local terms energy: -63.736846
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.036 (S_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: 473
Temperature: 1.200000
Total energy: -196.138133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.138133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.161529 (E_RNA)
where:
Base-Base interactions energy: -144.768
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.043
local terms energy: -51.350726
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -205.134986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.134986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.265889 (E_RNA)
where:
Base-Base interactions energy: -150.016
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.032
local terms energy: -55.217172
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.131 (S_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: 473
Temperature: 1.300000
Total energy: -176.930892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.930892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.979784 (E_RNA)
where:
Base-Base interactions energy: -129.624
where: short stacking energy: -55.889
Base-Backbone interact. energy: 0.438
local terms energy: -55.793957
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 8.049 (S_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: 473
Temperature: 1.350000
Total energy: -171.302976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.302976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.144224 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.039
local terms energy: -51.418381
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -7.483
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 8.841 (S_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: 474
Temperature: 0.900000
Total energy: -224.078200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.078200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307670 (E_RNA)
where:
Base-Base interactions energy: -162.307
where: short stacking energy: -66.695
Base-Backbone interact. energy: 0.429
local terms energy: -62.429538
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.229 (S_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: 474
Temperature: 0.950000
Total energy: -217.056139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.056139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428481 (E_RNA)
where:
Base-Base interactions energy: -149.814
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.015
local terms energy: -67.599295
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -230.053234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.053234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.139502 (E_RNA)
where:
Base-Base interactions energy: -167.785
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.014
local terms energy: -62.340455
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.086 (S_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: 474
Temperature: 1.050000
Total energy: -209.861979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.861979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.923560 (E_RNA)
where:
Base-Base interactions energy: -143.275
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.004
local terms energy: -66.644174
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.062 (S_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: 474
Temperature: 1.100000
Total energy: -211.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.790007 (E_RNA)
where:
Base-Base interactions energy: -148.495
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.493
local terms energy: -62.802160
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.158 (S_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: 474
Temperature: 1.150000
Total energy: -206.862723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.878339 (E_RNA)
where:
Base-Base interactions energy: -144.678
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.001
local terms energy: -62.199991
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -196.336114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.336114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.628894 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.098
local terms energy: -61.732363
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -195.412877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.412877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.412877 (E_RNA)
where:
Base-Base interactions energy: -147.187
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.066
local terms energy: -48.160108
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -8.245
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: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -192.059682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.059682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.786892 (E_RNA)
where:
Base-Base interactions energy: -144.564
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.011
local terms energy: -55.212065
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 7.727 (S_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: 474
Temperature: 1.350000
Total energy: -179.587640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.247706 (E_RNA)
where:
Base-Base interactions energy: -124.176
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.025
local terms energy: -68.047264
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 12.660 (S_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: 475
Temperature: 0.900000
Total energy: -229.591327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.591327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.751210 (E_RNA)
where:
Base-Base interactions energy: -165.048
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.001
local terms energy: -64.702900
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -230.968011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.968011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.001068 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.255
local terms energy: -58.149784
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -210.918367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.918367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.013252 (E_RNA)
where:
Base-Base interactions energy: -144.865
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.000
local terms energy: -66.147825
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -215.745611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.745611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.763100 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.097
local terms energy: -62.760426
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -203.849112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.849112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.891182 (E_RNA)
where:
Base-Base interactions energy: -138.269
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.005
local terms energy: -65.617064
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.042 (S_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: 475
Temperature: 1.150000
Total energy: -200.855134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.855134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.855134 (E_RNA)
where:
Base-Base interactions energy: -143.453
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.001
local terms energy: -57.401105
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -203.353434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.442335 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.007
local terms energy: -60.668108
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.089 (S_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: 475
Temperature: 1.250000
Total energy: -187.626315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.626315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.677316 (E_RNA)
where:
Base-Base interactions energy: -129.534
where: short stacking energy: -53.726
Base-Backbone interact. energy: -0.985
local terms energy: -64.158336
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 7.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -206.271934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.363459 (E_RNA)
where:
Base-Base interactions energy: -157.528
where: short stacking energy: -64.219
Base-Backbone interact. energy: 2.009
local terms energy: -50.845068
where:
bonds (distance) C4'-P energy: -4.000
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.092 (S_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: 475
Temperature: 1.350000
Total energy: -175.659340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.659340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734006 (E_RNA)
where:
Base-Base interactions energy: -126.550
where: short stacking energy: -52.399
Base-Backbone interact. energy: -0.137
local terms energy: -57.046888
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -8.107
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 8.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -230.156073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.156073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.212226 (E_RNA)
where:
Base-Base interactions energy: -168.918
where: short stacking energy: -65.786
Base-Backbone interact. energy: -0.743
local terms energy: -60.551576
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.056 (S_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: 476
Temperature: 0.950000
Total energy: -221.598610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.598610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.818714 (E_RNA)
where:
Base-Base interactions energy: -159.470
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.003
local terms energy: -62.345502
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -217.710927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.710927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.792805 (E_RNA)
where:
Base-Base interactions energy: -150.641
where: short stacking energy: -61.270
Base-Backbone interact. energy: -1.178
local terms energy: -65.974202
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -213.146129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.146129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242482 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.124
local terms energy: -64.474954
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -205.763049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.771128 (E_RNA)
where:
Base-Base interactions energy: -157.570
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.098
local terms energy: -48.103618
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.008 (S_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: 476
Temperature: 1.150000
Total energy: -200.566513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.566513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.970733 (E_RNA)
where:
Base-Base interactions energy: -137.663
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.206
local terms energy: -63.102080
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.404 (S_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: 476
Temperature: 1.200000
Total energy: -204.138289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.138289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.209802 (E_RNA)
where:
Base-Base interactions energy: -144.605
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.000
local terms energy: -59.604236
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.072 (S_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: 476
Temperature: 1.250000
Total energy: -178.046537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.046537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.262218 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -62.519
Base-Backbone interact. energy: -0.002
local terms energy: -59.080258
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 8.216 (S_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: 476
Temperature: 1.300000
Total energy: -168.385335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.385335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.834376 (E_RNA)
where:
Base-Base interactions energy: -122.630
where: short stacking energy: -50.424
Base-Backbone interact. energy: -0.127
local terms energy: -54.077319
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 8.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -189.254862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.328036 (E_RNA)
where:
Base-Base interactions energy: -137.148
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.002
local terms energy: -52.177097
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -241.515356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.515356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.515356 (E_RNA)
where:
Base-Base interactions energy: -173.277
where: short stacking energy: -68.456
Base-Backbone interact. energy: -0.052
local terms energy: -68.185533
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -221.020052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.120681 (E_RNA)
where:
Base-Base interactions energy: -158.416
where: short stacking energy: -62.811
Base-Backbone interact. energy: 0.425
local terms energy: -63.129966
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -210.348423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.348423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.352271 (E_RNA)
where:
Base-Base interactions energy: -147.917
where: short stacking energy: -61.574
Base-Backbone interact. energy: 0.399
local terms energy: -62.834416
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -210.310202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.310202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.390419 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.001
local terms energy: -67.928618
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.080 (S_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: 477
Temperature: 1.100000
Total energy: -210.137633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.137633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.145135 (E_RNA)
where:
Base-Base interactions energy: -149.192
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.051
local terms energy: -60.901513
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.008 (S_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: 477
Temperature: 1.150000
Total energy: -212.740117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.740117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.741907 (E_RNA)
where:
Base-Base interactions energy: -150.401
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.229
local terms energy: -62.112156
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.002 (S_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: 477
Temperature: 1.200000
Total energy: -198.267387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.267387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.438563 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.293
local terms energy: -61.867130
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.171 (S_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: 477
Temperature: 1.250000
Total energy: -179.507725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.507725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.258068 (E_RNA)
where:
Base-Base interactions energy: -131.588
where: short stacking energy: -56.662
Base-Backbone interact. energy: -0.090
local terms energy: -55.579777
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 7.750 (S_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: 477
Temperature: 1.300000
Total energy: -172.663038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.663038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662339 (E_RNA)
where:
Base-Base interactions energy: -124.239
where: short stacking energy: -50.002
Base-Backbone interact. energy: 1.678
local terms energy: -56.100768
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 5.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -183.954705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.954705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.321858 (E_RNA)
where:
Base-Base interactions energy: -134.275
where: short stacking energy: -52.313
Base-Backbone interact. energy: -0.180
local terms energy: -49.866453
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -235.031434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.031434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.048639 (E_RNA)
where:
Base-Base interactions energy: -173.741
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.002
local terms energy: -61.305354
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.017 (S_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: 478
Temperature: 0.950000
Total energy: -217.436845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.436845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.455165 (E_RNA)
where:
Base-Base interactions energy: -154.753
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.003
local terms energy: -62.699825
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -219.491439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.491439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684705 (E_RNA)
where:
Base-Base interactions energy: -164.029
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.008
local terms energy: -55.647330
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.193 (S_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: 478
Temperature: 1.050000
Total energy: -201.946472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.946472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952872 (E_RNA)
where:
Base-Base interactions energy: -142.309
where: short stacking energy: -49.382
Base-Backbone interact. energy: -0.382
local terms energy: -59.261946
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.006 (S_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: 478
Temperature: 1.100000
Total energy: -208.721787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.721787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.786572 (E_RNA)
where:
Base-Base interactions energy: -150.139
where: short stacking energy: -51.780
Base-Backbone interact. energy: -0.186
local terms energy: -58.461161
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.065 (S_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: 478
Temperature: 1.150000
Total energy: -200.380235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.380235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.454648 (E_RNA)
where:
Base-Base interactions energy: -136.300
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.075
local terms energy: -64.079671
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.074 (S_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: 478
Temperature: 1.200000
Total energy: -191.930168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.930168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.039733 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.014
local terms energy: -56.046585
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 7.110 (S_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: 478
Temperature: 1.250000
Total energy: -211.697714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.697714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.776695 (E_RNA)
where:
Base-Base interactions energy: -158.228
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.002
local terms energy: -53.546928
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -2.184
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -202.521459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.521459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.559355 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.001
local terms energy: -57.931607
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.038 (S_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: 478
Temperature: 1.350000
Total energy: -163.970518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.970518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.913569 (E_RNA)
where:
Base-Base interactions energy: -123.643
where: short stacking energy: -52.322
Base-Backbone interact. energy: -0.004
local terms energy: -50.265884
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 9.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -240.489704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.489704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.491281 (E_RNA)
where:
Base-Base interactions energy: -175.007
where: short stacking energy: -71.424
Base-Backbone interact. energy: -0.067
local terms energy: -65.417397
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.002 (S_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: 479
Temperature: 0.950000
Total energy: -229.644707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.644707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.687568 (E_RNA)
where:
Base-Base interactions energy: -168.488
where: short stacking energy: -72.398
Base-Backbone interact. energy: -0.023
local terms energy: -61.176267
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.043 (S_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: 479
Temperature: 1.000000
Total energy: -215.933229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.933229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950575 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.166
local terms energy: -68.702228
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.017 (S_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: 479
Temperature: 1.050000
Total energy: -208.909217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.909217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.915335 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -57.846
Base-Backbone interact. energy: 1.734
local terms energy: -64.415361
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -219.461210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.461210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.476571 (E_RNA)
where:
Base-Base interactions energy: -156.548
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.019
local terms energy: -62.909573
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.015 (S_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: 479
Temperature: 1.150000
Total energy: -184.959001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.959001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.804313 (E_RNA)
where:
Base-Base interactions energy: -134.038
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.023
local terms energy: -59.743310
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 8.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -198.397749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.397749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.408308 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -63.069
Base-Backbone interact. energy: 0.454
local terms energy: -55.688902
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -199.844182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.844182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.886461 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -57.595
Base-Backbone interact. energy: 0.478
local terms energy: -61.237016
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.042 (S_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: 479
Temperature: 1.300000
Total energy: -202.317844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.317844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.437939 (E_RNA)
where:
Base-Base interactions energy: -136.529
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.148
local terms energy: -65.760623
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.120 (S_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: 479
Temperature: 1.350000
Total energy: -183.967263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.967263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.771649 (E_RNA)
where:
Base-Base interactions energy: -126.126
where: short stacking energy: -53.953
Base-Backbone interact. energy: -1.485
local terms energy: -63.160816
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 6.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -237.094169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.094169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.121666 (E_RNA)
where:
Base-Base interactions energy: -173.358
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.670
local terms energy: -63.093229
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.027 (S_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: 480
Temperature: 0.950000
Total energy: -218.680910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.680910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.728226 (E_RNA)
where:
Base-Base interactions energy: -161.384
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.005
local terms energy: -57.339376
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.047 (S_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: 480
Temperature: 1.000000
Total energy: -214.447138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.447138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.473725 (E_RNA)
where:
Base-Base interactions energy: -159.019
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.308
local terms energy: -55.146385
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -211.325127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.325127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388373 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -57.479
Base-Backbone interact. energy: -0.142
local terms energy: -67.543908
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -205.560067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.560067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.560067 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.009
local terms energy: -60.948529
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -185.396235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.396235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.916189 (E_RNA)
where:
Base-Base interactions energy: -128.203
where: short stacking energy: -56.237
Base-Backbone interact. energy: -1.750
local terms energy: -63.962585
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 8.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -199.693797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.693797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.748191 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.006
local terms energy: -56.896998
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -204.287971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.287971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.473024 (E_RNA)
where:
Base-Base interactions energy: -150.527
where: short stacking energy: -64.458
Base-Backbone interact. energy: 1.000
local terms energy: -54.945867
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -6.825
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.185 (S_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: 480
Temperature: 1.300000
Total energy: -185.397053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.397053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.679854 (E_RNA)
where:
Base-Base interactions energy: -132.606
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.000
local terms energy: -60.073473
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 7.283 (S_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: 480
Temperature: 1.350000
Total energy: -197.804189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.804189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.207237 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -58.950
Base-Backbone interact. energy: -0.098
local terms energy: -58.601803
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -237.174341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.174341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.175005 (E_RNA)
where:
Base-Base interactions energy: -170.259
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.378
local terms energy: -66.537415
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.001 (S_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: 481
Temperature: 0.950000
Total energy: -235.586906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.586906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.586906 (E_RNA)
where:
Base-Base interactions energy: -168.243
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.074
local terms energy: -67.269675
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -208.401984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.401984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.550088 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.009
local terms energy: -62.043987
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -214.553532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.553532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575354 (E_RNA)
where:
Base-Base interactions energy: -157.255
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.366
local terms energy: -56.954031
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -216.679483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.679483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.807678 (E_RNA)
where:
Base-Base interactions energy: -156.450
where: short stacking energy: -62.792
Base-Backbone interact. energy: -0.187
local terms energy: -60.170326
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -222.509603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.573671 (E_RNA)
where:
Base-Base interactions energy: -162.275
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.003
local terms energy: -60.296138
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.064 (S_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: 481
Temperature: 1.200000
Total energy: -182.012056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.012056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.047506 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -56.431
Base-Backbone interact. energy: -0.428
local terms energy: -56.423663
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 7.035 (S_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: 481
Temperature: 1.250000
Total energy: -185.267558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.267558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.126815 (E_RNA)
where:
Base-Base interactions energy: -132.934
where: short stacking energy: -62.307
Base-Backbone interact. energy: -1.743
local terms energy: -61.450128
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 10.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -200.666830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.666830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.861056 (E_RNA)
where:
Base-Base interactions energy: -142.217
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.139
local terms energy: -58.505227
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -8.965
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.194 (S_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: 481
Temperature: 1.350000
Total energy: -204.321654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.321654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.321654 (E_RNA)
where:
Base-Base interactions energy: -146.000
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.049
local terms energy: -58.272476
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -233.293182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.293182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.293182 (E_RNA)
where:
Base-Base interactions energy: -171.022
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.003
local terms energy: -62.267943
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -17.260
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: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -230.353265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.353265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.437006 (E_RNA)
where:
Base-Base interactions energy: -160.943
where: short stacking energy: -61.605
Base-Backbone interact. energy: -1.209
local terms energy: -68.285608
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -207.703209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.703209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.807869 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.094
local terms energy: -60.760924
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.105 (S_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: 482
Temperature: 1.050000
Total energy: -208.995961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.995961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015892 (E_RNA)
where:
Base-Base interactions energy: -151.690
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.003
local terms energy: -57.322884
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.020 (S_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: 482
Temperature: 1.100000
Total energy: -213.948993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.948993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.995654 (E_RNA)
where:
Base-Base interactions energy: -159.880
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.044
local terms energy: -54.072562
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.047 (S_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: 482
Temperature: 1.150000
Total energy: -206.459181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.459181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.623555 (E_RNA)
where:
Base-Base interactions energy: -147.168
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.387
local terms energy: -59.068889
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -1.684
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -188.076820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.528057 (E_RNA)
where:
Base-Base interactions energy: -139.403
where: short stacking energy: -56.239
Base-Backbone interact. energy: -0.965
local terms energy: -56.160197
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 8.451 (S_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: 482
Temperature: 1.250000
Total energy: -183.638533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.638533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.427331 (E_RNA)
where:
Base-Base interactions energy: -129.011
where: short stacking energy: -56.062
Base-Backbone interact. energy: -0.563
local terms energy: -61.852922
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 7.789 (S_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: 482
Temperature: 1.300000
Total energy: -199.047489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.047489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.059818 (E_RNA)
where:
Base-Base interactions energy: -142.131
where: short stacking energy: -56.641
Base-Backbone interact. energy: 0.787
local terms energy: -57.715428
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -184.873754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.873754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.318022 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -49.823
Base-Backbone interact. energy: -0.424
local terms energy: -56.409672
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.444 (S_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: 483
Temperature: 0.900000
Total energy: -230.326191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.326191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.456783 (E_RNA)
where:
Base-Base interactions energy: -169.759
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.315
local terms energy: -60.382183
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.131 (S_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: 483
Temperature: 0.950000
Total energy: -213.926892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.926892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.954732 (E_RNA)
where:
Base-Base interactions energy: -149.127
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.221
local terms energy: -64.606708
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -225.901414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.901414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.901414 (E_RNA)
where:
Base-Base interactions energy: -164.724
where: short stacking energy: -66.668
Base-Backbone interact. energy: -0.154
local terms energy: -61.023580
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -213.564728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.564728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.571675 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.002
local terms energy: -67.914802
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.007 (S_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: 483
Temperature: 1.100000
Total energy: -212.574876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.574876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.628527 (E_RNA)
where:
Base-Base interactions energy: -145.807
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.181
local terms energy: -66.640569
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.054 (S_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: 483
Temperature: 1.150000
Total energy: -206.724962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.724962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.743597 (E_RNA)
where:
Base-Base interactions energy: -144.851
where: short stacking energy: -58.976
Base-Backbone interact. energy: -0.041
local terms energy: -61.851398
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -187.080926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.080926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.475036 (E_RNA)
where:
Base-Base interactions energy: -128.766
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.000
local terms energy: -65.708898
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 7.394 (S_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: 483
Temperature: 1.250000
Total energy: -200.444277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.444277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.567146 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.000
local terms energy: -63.880576
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.123 (S_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: 483
Temperature: 1.300000
Total energy: -182.935584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.935584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.893518 (E_RNA)
where:
Base-Base interactions energy: -124.703
where: short stacking energy: -50.515
Base-Backbone interact. energy: -0.301
local terms energy: -65.889575
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 7.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -188.198668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.291638 (E_RNA)
where:
Base-Base interactions energy: -132.235
where: short stacking energy: -56.680
Base-Backbone interact. energy: -0.005
local terms energy: -56.052445
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -218.195685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.195685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.195685 (E_RNA)
where:
Base-Base interactions energy: -148.756
where: short stacking energy: -62.656
Base-Backbone interact. energy: -0.047
local terms energy: -69.392194
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -15.464
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: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -224.001866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.001866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.024602 (E_RNA)
where:
Base-Base interactions energy: -169.585
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.363
local terms energy: -54.076248
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.023 (S_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: 484
Temperature: 1.000000
Total energy: -212.802024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.943089 (E_RNA)
where:
Base-Base interactions energy: -146.665
where: short stacking energy: -62.248
Base-Backbone interact. energy: 0.626
local terms energy: -66.903969
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.141 (S_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: 484
Temperature: 1.050000
Total energy: -211.755519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.755519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.791171 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.001
local terms energy: -64.227698
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.036 (S_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: 484
Temperature: 1.100000
Total energy: -214.925289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.925289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.983111 (E_RNA)
where:
Base-Base interactions energy: -160.317
where: short stacking energy: -65.556
Base-Backbone interact. energy: 0.388
local terms energy: -55.054039
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -203.733274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.736930 (E_RNA)
where:
Base-Base interactions energy: -136.590
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.125
local terms energy: -67.021911
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.004 (S_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: 484
Temperature: 1.200000
Total energy: -202.836619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.836619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.880470 (E_RNA)
where:
Base-Base interactions energy: -148.784
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.050
local terms energy: -54.046900
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -178.854226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.854226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.920559 (E_RNA)
where:
Base-Base interactions energy: -125.181
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.377
local terms energy: -61.362943
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 8.066 (S_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: 484
Temperature: 1.300000
Total energy: -191.433030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.433030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.500124 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -55.495
Base-Backbone interact. energy: 0.735
local terms energy: -53.633713
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.067 (S_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: 484
Temperature: 1.350000
Total energy: -165.417945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.417945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.610439 (E_RNA)
where:
Base-Base interactions energy: -118.549
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.015
local terms energy: -57.046108
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 10.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -231.909680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.909680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.985488 (E_RNA)
where:
Base-Base interactions energy: -169.207
where: short stacking energy: -69.162
Base-Backbone interact. energy: 0.207
local terms energy: -62.985193
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.076 (S_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: 485
Temperature: 0.950000
Total energy: -221.256463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.256463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.334675 (E_RNA)
where:
Base-Base interactions energy: -162.321
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.287
local terms energy: -58.726266
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.078 (S_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: 485
Temperature: 1.000000
Total energy: -229.333906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.381057 (E_RNA)
where:
Base-Base interactions energy: -170.507
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.417
local terms energy: -58.457383
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.047 (S_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: 485
Temperature: 1.050000
Total energy: -212.822629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.822629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.822629 (E_RNA)
where:
Base-Base interactions energy: -146.698
where: short stacking energy: -62.162
Base-Backbone interact. energy: -0.002
local terms energy: -66.122546
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -213.490660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.490660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.610931 (E_RNA)
where:
Base-Base interactions energy: -143.683
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.294
local terms energy: -69.633795
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -204.641952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.641952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676009 (E_RNA)
where:
Base-Base interactions energy: -144.059
where: short stacking energy: -55.718
Base-Backbone interact. energy: -0.269
local terms energy: -60.348309
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.034 (S_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: 485
Temperature: 1.200000
Total energy: -210.610407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.610407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.775712 (E_RNA)
where:
Base-Base interactions energy: -157.398
where: short stacking energy: -61.309
Base-Backbone interact. energy: 0.483
local terms energy: -53.861089
where:
bonds (distance) C4'-P energy: -7.456
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.165 (S_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: 485
Temperature: 1.250000
Total energy: -207.630536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.630536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.710814 (E_RNA)
where:
Base-Base interactions energy: -152.561
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.001
local terms energy: -55.149165
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.080 (S_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: 485
Temperature: 1.300000
Total energy: -175.486966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.486966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.946175 (E_RNA)
where:
Base-Base interactions energy: -132.541
where: short stacking energy: -57.957
Base-Backbone interact. energy: 2.608
local terms energy: -53.013737
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 7.459 (S_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: 485
Temperature: 1.350000
Total energy: -175.316226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.316226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.741916 (E_RNA)
where:
Base-Base interactions energy: -127.241
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.435
local terms energy: -55.066214
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 7.426 (S_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: 486
Temperature: 0.900000
Total energy: -229.076601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.076601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.076601 (E_RNA)
where:
Base-Base interactions energy: -163.310
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.001
local terms energy: -65.765115
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -227.470307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.470307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.663256 (E_RNA)
where:
Base-Base interactions energy: -164.188
where: short stacking energy: -64.610
Base-Backbone interact. energy: -0.123
local terms energy: -63.352136
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.193 (S_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: 486
Temperature: 1.000000
Total energy: -223.208444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.208444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.299547 (E_RNA)
where:
Base-Base interactions energy: -164.455
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.007
local terms energy: -58.837396
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.091 (S_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: 486
Temperature: 1.050000
Total energy: -209.663737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.663737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.757401 (E_RNA)
where:
Base-Base interactions energy: -145.277
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.157
local terms energy: -64.322748
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -205.895770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.895770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.933617 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.005
local terms energy: -64.624977
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.038 (S_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: 486
Temperature: 1.150000
Total energy: -207.884209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.884209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.074496 (E_RNA)
where:
Base-Base interactions energy: -145.885
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.006
local terms energy: -62.184456
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.190 (S_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: 486
Temperature: 1.200000
Total energy: -209.607863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.607863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.698135 (E_RNA)
where:
Base-Base interactions energy: -157.585
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.614
local terms energy: -51.498862
where:
bonds (distance) C4'-P energy: -8.119
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -201.890187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.890187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963354 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -58.733
Base-Backbone interact. energy: -0.000
local terms energy: -58.357969
where:
bonds (distance) C4'-P energy: -6.655
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.073 (S_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: 486
Temperature: 1.300000
Total energy: -173.061996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.061996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.035580 (E_RNA)
where:
Base-Base interactions energy: -118.987
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.095
local terms energy: -61.953496
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 7.974 (S_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: 486
Temperature: 1.350000
Total energy: -167.522384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.522384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.536623 (E_RNA)
where:
Base-Base interactions energy: -121.769
where: short stacking energy: -47.748
Base-Backbone interact. energy: -1.034
local terms energy: -52.733765
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -7.670
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 8.014 (S_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: 487
Temperature: 0.900000
Total energy: -226.251271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.251271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.313220 (E_RNA)
where:
Base-Base interactions energy: -166.903
where: short stacking energy: -65.803
Base-Backbone interact. energy: -0.134
local terms energy: -59.276259
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.062 (S_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: 487
Temperature: 0.950000
Total energy: -230.389610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.389610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.389610 (E_RNA)
where:
Base-Base interactions energy: -169.054
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.180
local terms energy: -61.155555
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -4.390
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: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -217.331953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.331953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.411351 (E_RNA)
where:
Base-Base interactions energy: -159.725
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.005
local terms energy: -57.680962
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -208.121794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.121794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279182 (E_RNA)
where:
Base-Base interactions energy: -145.670
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.089
local terms energy: -62.519719
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.157 (S_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: 487
Temperature: 1.100000
Total energy: -208.181332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.181332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.273754 (E_RNA)
where:
Base-Base interactions energy: -138.963
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.000
local terms energy: -69.310465
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.092 (S_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: 487
Temperature: 1.150000
Total energy: -207.004187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.004187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.066465 (E_RNA)
where:
Base-Base interactions energy: -157.125
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.059
local terms energy: -49.882888
where:
bonds (distance) C4'-P energy: -8.202
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.062 (S_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: 487
Temperature: 1.200000
Total energy: -196.444254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.444254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.625890 (E_RNA)
where:
Base-Base interactions energy: -134.256
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.303
local terms energy: -62.066679
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -203.720601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.720601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.753260 (E_RNA)
where:
Base-Base interactions energy: -142.185
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.000
local terms energy: -61.567488
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.033 (S_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: 487
Temperature: 1.300000
Total energy: -192.718547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.718547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.590304 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.031
local terms energy: -60.260564
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 6.872 (S_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: 487
Temperature: 1.350000
Total energy: -172.888204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.888204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.723573 (E_RNA)
where:
Base-Base interactions energy: -122.334
where: short stacking energy: -50.080
Base-Backbone interact. energy: 0.037
local terms energy: -57.426612
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 6.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -230.667640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.712989 (E_RNA)
where:
Base-Base interactions energy: -166.814
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.457
local terms energy: -63.441735
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -235.719814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.719814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.763748 (E_RNA)
where:
Base-Base interactions energy: -176.263
where: short stacking energy: -71.608
Base-Backbone interact. energy: -0.024
local terms energy: -59.477050
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -3.529
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -213.829043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.829043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.841733 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.014
local terms energy: -60.611098
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.013 (S_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: 488
Temperature: 1.050000
Total energy: -209.757148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.757148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.813597 (E_RNA)
where:
Base-Base interactions energy: -146.349
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.322
local terms energy: -63.143183
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.056 (S_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: 488
Temperature: 1.100000
Total energy: -208.379162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.379162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.406126 (E_RNA)
where:
Base-Base interactions energy: -141.248
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.004
local terms energy: -67.153959
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -198.277685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.277685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.446787 (E_RNA)
where:
Base-Base interactions energy: -140.656
where: short stacking energy: -58.692
Base-Backbone interact. energy: 2.077
local terms energy: -59.867356
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.169 (S_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: 488
Temperature: 1.200000
Total energy: -203.022727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.022727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.127191 (E_RNA)
where:
Base-Base interactions energy: -141.931
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.007
local terms energy: -61.189618
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -197.494764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.494764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.494764 (E_RNA)
where:
Base-Base interactions energy: -142.376
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.021
local terms energy: -55.097344
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -12.454
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: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -183.430306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.599828 (E_RNA)
where:
Base-Base interactions energy: -130.030
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.008
local terms energy: -59.562560
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 6.170 (S_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: 488
Temperature: 1.350000
Total energy: -172.955821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.427244 (E_RNA)
where:
Base-Base interactions energy: -129.340
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.008
local terms energy: -52.079490
where:
bonds (distance) C4'-P energy: -7.101
bonds (distance) P-C4' energy: -4.421
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 8.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -231.173647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.173647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.252465 (E_RNA)
where:
Base-Base interactions energy: -167.979
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.015
local terms energy: -63.258412
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.079 (S_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: 489
Temperature: 0.950000
Total energy: -233.082552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.082552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.290194 (E_RNA)
where:
Base-Base interactions energy: -166.387
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.005
local terms energy: -66.898474
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -211.403579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.403579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423648 (E_RNA)
where:
Base-Base interactions energy: -146.896
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.091
local terms energy: -64.435769
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -211.147406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.147406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.381165 (E_RNA)
where:
Base-Base interactions energy: -148.547
where: short stacking energy: -55.051
Base-Backbone interact. energy: -0.161
local terms energy: -62.673439
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.234 (S_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: 489
Temperature: 1.100000
Total energy: -206.073128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.073128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.211483 (E_RNA)
where:
Base-Base interactions energy: -135.389
where: short stacking energy: -56.557
Base-Backbone interact. energy: -0.668
local terms energy: -70.153702
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.138 (S_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: 489
Temperature: 1.150000
Total energy: -211.816221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.816221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.928934 (E_RNA)
where:
Base-Base interactions energy: -156.869
where: short stacking energy: -53.998
Base-Backbone interact. energy: -0.131
local terms energy: -54.928720
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -206.525801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.525801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.550716 (E_RNA)
where:
Base-Base interactions energy: -146.963
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.001
local terms energy: -59.587113
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -198.364136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.364136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.364136 (E_RNA)
where:
Base-Base interactions energy: -138.873
where: short stacking energy: -45.793
Base-Backbone interact. energy: -0.015
local terms energy: -59.476900
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -11.069
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: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -181.442759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.442759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.746783 (E_RNA)
where:
Base-Base interactions energy: -126.110
where: short stacking energy: -56.781
Base-Backbone interact. energy: -0.384
local terms energy: -62.252070
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 7.304 (S_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: 489
Temperature: 1.350000
Total energy: -167.779034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.779034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.866082 (E_RNA)
where:
Base-Base interactions energy: -118.151
where: short stacking energy: -46.793
Base-Backbone interact. energy: -0.017
local terms energy: -55.697281
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 6.087 (S_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: 490
Temperature: 0.900000
Total energy: -232.125731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.125731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.178942 (E_RNA)
where:
Base-Base interactions energy: -170.282
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.630
local terms energy: -61.266977
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.053 (S_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: 490
Temperature: 0.950000
Total energy: -229.967345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.967345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.142662 (E_RNA)
where:
Base-Base interactions energy: -166.459
where: short stacking energy: -65.045
Base-Backbone interact. energy: -0.063
local terms energy: -63.621092
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -211.881623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.881623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.952521 (E_RNA)
where:
Base-Base interactions energy: -144.464
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.875
local terms energy: -66.613624
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -211.338713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.338713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378185 (E_RNA)
where:
Base-Base interactions energy: -150.892
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.002
local terms energy: -60.484202
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.039 (S_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: 490
Temperature: 1.100000
Total energy: -212.575767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.575767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.664545 (E_RNA)
where:
Base-Base interactions energy: -151.028
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.007
local terms energy: -61.630161
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.089 (S_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: 490
Temperature: 1.150000
Total energy: -206.860383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.860383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.973638 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.000
local terms energy: -60.477032
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -200.532669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.532669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676872 (E_RNA)
where:
Base-Base interactions energy: -137.136
where: short stacking energy: -53.864
Base-Backbone interact. energy: -0.022
local terms energy: -63.518907
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -203.128957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.128957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.365840 (E_RNA)
where:
Base-Base interactions energy: -143.047
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.025
local terms energy: -60.293293
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.237 (S_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: 490
Temperature: 1.300000
Total energy: -182.604676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.604676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.957575 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -56.371
Base-Backbone interact. energy: 2.772
local terms energy: -54.901911
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 6.353 (S_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: 490
Temperature: 1.350000
Total energy: -177.111996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.111996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.278541 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -58.918
Base-Backbone interact. energy: -1.109
local terms energy: -57.574381
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 7.167 (S_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: 491
Temperature: 0.900000
Total energy: -232.028782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.028782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.029354 (E_RNA)
where:
Base-Base interactions energy: -169.535
where: short stacking energy: -69.654
Base-Backbone interact. energy: -0.003
local terms energy: -62.491606
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -227.169927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.169927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.172998 (E_RNA)
where:
Base-Base interactions energy: -166.312
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.002
local terms energy: -60.859856
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -210.734507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.734507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.824120 (E_RNA)
where:
Base-Base interactions energy: -146.904
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.004
local terms energy: -63.916338
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.090 (S_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: 491
Temperature: 1.050000
Total energy: -206.364236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.364236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.542721 (E_RNA)
where:
Base-Base interactions energy: -144.401
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.002
local terms energy: -62.139769
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -218.070793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.070793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.156749 (E_RNA)
where:
Base-Base interactions energy: -154.685
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.293
local terms energy: -63.178875
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -206.118940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.118940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.160850 (E_RNA)
where:
Base-Base interactions energy: -144.826
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.007
local terms energy: -61.328348
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.042 (S_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: 491
Temperature: 1.200000
Total energy: -199.174270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.208544 (E_RNA)
where:
Base-Base interactions energy: -139.156
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.001
local terms energy: -60.051837
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.034 (S_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: 491
Temperature: 1.250000
Total energy: -182.001727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.001727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.668397 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -55.613
Base-Backbone interact. energy: -0.037
local terms energy: -54.767966
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 7.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -201.583695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.583695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.742104 (E_RNA)
where:
Base-Base interactions energy: -139.234
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.931
local terms energy: -61.577302
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.158 (S_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: 491
Temperature: 1.350000
Total energy: -178.574998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.574998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.706581 (E_RNA)
where:
Base-Base interactions energy: -129.264
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.330
local terms energy: -56.112633
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 7.132 (S_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: 492
Temperature: 0.900000
Total energy: -238.044037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.044037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.056251 (E_RNA)
where:
Base-Base interactions energy: -174.178
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.057
local terms energy: -63.820667
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -230.052675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.052675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.052675 (E_RNA)
where:
Base-Base interactions energy: -162.725
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.234
local terms energy: -67.093866
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -6.407
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: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -214.676849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.676849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.709294 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.000
local terms energy: -64.925964
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.032 (S_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: 492
Temperature: 1.050000
Total energy: -215.182177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.182177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.239577 (E_RNA)
where:
Base-Base interactions energy: -147.862
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.001
local terms energy: -67.376558
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -213.412767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.412767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.412767 (E_RNA)
where:
Base-Base interactions energy: -154.896
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.049
local terms energy: -58.468126
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -5.420
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: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -206.472745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.472745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.540684 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.015
local terms energy: -60.781409
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.068 (S_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: 492
Temperature: 1.200000
Total energy: -183.746414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.746414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.716723 (E_RNA)
where:
Base-Base interactions energy: -132.954
where: short stacking energy: -57.085
Base-Backbone interact. energy: -0.827
local terms energy: -57.935434
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -6.403
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 7.970 (S_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: 492
Temperature: 1.250000
Total energy: -199.769861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.769861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.887547 (E_RNA)
where:
Base-Base interactions energy: -139.521
where: short stacking energy: -57.445
Base-Backbone interact. energy: -0.012
local terms energy: -60.354391
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.118 (S_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: 492
Temperature: 1.300000
Total energy: -182.217638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.217638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.000650 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.003
local terms energy: -60.341422
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 7.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -206.769683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.769683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.906489 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -53.305
Base-Backbone interact. energy: -0.003
local terms energy: -69.911804
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.137 (S_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: 493
Temperature: 0.900000
Total energy: -238.771791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.771791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.778055 (E_RNA)
where:
Base-Base interactions energy: -171.517
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.001
local terms energy: -67.259891
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.006 (S_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: 493
Temperature: 0.950000
Total energy: -224.895856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.895856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.895856 (E_RNA)
where:
Base-Base interactions energy: -164.174
where: short stacking energy: -64.274
Base-Backbone interact. energy: -0.005
local terms energy: -60.716950
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -229.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.967307 (E_RNA)
where:
Base-Base interactions energy: -173.522
where: short stacking energy: -73.467
Base-Backbone interact. energy: -0.007
local terms energy: -56.438293
where:
bonds (distance) C4'-P energy: -6.718
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -203.959831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.959831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152637 (E_RNA)
where:
Base-Base interactions energy: -136.041
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.002
local terms energy: -68.109929
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.193 (S_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: 493
Temperature: 1.100000
Total energy: -209.301627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.301627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.409081 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.158
local terms energy: -64.519038
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.107 (S_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: 493
Temperature: 1.150000
Total energy: -214.869371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873576 (E_RNA)
where:
Base-Base interactions energy: -158.764
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.200
local terms energy: -55.909490
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -194.468445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.468445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.288020 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.157
local terms energy: -56.964624
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 7.820 (S_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: 493
Temperature: 1.250000
Total energy: -174.287627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.287627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.933070 (E_RNA)
where:
Base-Base interactions energy: -128.824
where: short stacking energy: -56.186
Base-Backbone interact. energy: 2.223
local terms energy: -54.332644
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 6.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -200.383218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.383218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.445887 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.032
local terms energy: -65.501323
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -197.598048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.598048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.925936 (E_RNA)
where:
Base-Base interactions energy: -136.311
where: short stacking energy: -56.851
Base-Backbone interact. energy: -0.001
local terms energy: -61.613816
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -231.073870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.073870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.196776 (E_RNA)
where:
Base-Base interactions energy: -169.923
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.025
local terms energy: -61.248966
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.123 (S_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: 494
Temperature: 0.950000
Total energy: -223.727865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.727865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.847824 (E_RNA)
where:
Base-Base interactions energy: -163.351
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.160
local terms energy: -60.337135
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -211.325379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.325379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.513141 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -61.119
Base-Backbone interact. energy: -0.480
local terms energy: -62.667435
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -210.809763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.809763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.830639 (E_RNA)
where:
Base-Base interactions energy: -149.833
where: short stacking energy: -59.204
Base-Backbone interact. energy: -0.005
local terms energy: -60.992193
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -213.631775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.631775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.695467 (E_RNA)
where:
Base-Base interactions energy: -152.127
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.320
local terms energy: -61.248247
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.064 (S_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: 494
Temperature: 1.150000
Total energy: -208.692036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.692036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.692036 (E_RNA)
where:
Base-Base interactions energy: -148.723
where: short stacking energy: -59.138
Base-Backbone interact. energy: -0.059
local terms energy: -59.909233
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -181.713750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.713750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.015622 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -53.594
Base-Backbone interact. energy: -1.750
local terms energy: -65.076476
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 9.302 (S_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: 494
Temperature: 1.250000
Total energy: -183.454259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.454259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.495690 (E_RNA)
where:
Base-Base interactions energy: -132.578
where: short stacking energy: -52.152
Base-Backbone interact. energy: -0.480
local terms energy: -57.437378
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 7.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -197.350990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.350990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.350990 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -54.467
Base-Backbone interact. energy: -0.068
local terms energy: -57.511496
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.068
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: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -199.856269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.856269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.856269 (E_RNA)
where:
Base-Base interactions energy: -135.416
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.000
local terms energy: -64.439778
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -216.204621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.204621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.264097 (E_RNA)
where:
Base-Base interactions energy: -144.299
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.023
local terms energy: -71.942345
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -224.373583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.373583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.395605 (E_RNA)
where:
Base-Base interactions energy: -160.622
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.127
local terms energy: -63.646492
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -223.321839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.353089 (E_RNA)
where:
Base-Base interactions energy: -160.236
where: short stacking energy: -62.622
Base-Backbone interact. energy: -0.239
local terms energy: -62.877750
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -210.832096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.832096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.918150 (E_RNA)
where:
Base-Base interactions energy: -145.558
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.096
local terms energy: -65.263466
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -209.149100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.221372 (E_RNA)
where:
Base-Base interactions energy: -142.281
where: short stacking energy: -50.204
Base-Backbone interact. energy: -0.002
local terms energy: -66.937999
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.072 (S_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: 495
Temperature: 1.150000
Total energy: -217.904165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.904165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393562 (E_RNA)
where:
Base-Base interactions energy: -158.472
where: short stacking energy: -68.655
Base-Backbone interact. energy: -0.001
local terms energy: -67.920441
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 8.489 (S_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: 495
Temperature: 1.200000
Total energy: -200.476698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.476698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.521278 (E_RNA)
where:
Base-Base interactions energy: -140.919
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.014
local terms energy: -59.587671
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -201.691628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.691628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.691628 (E_RNA)
where:
Base-Base interactions energy: -144.771
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.043
local terms energy: -56.877674
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -6.655
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: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -183.631692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.631692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.687202 (E_RNA)
where:
Base-Base interactions energy: -131.665
where: short stacking energy: -52.554
Base-Backbone interact. energy: 1.308
local terms energy: -61.330135
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 8.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -191.952362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.952362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.023144 (E_RNA)
where:
Base-Base interactions energy: -126.908
where: short stacking energy: -46.088
Base-Backbone interact. energy: -0.957
local terms energy: -64.157656
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -216.731188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.731188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.738156 (E_RNA)
where:
Base-Base interactions energy: -149.523
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.588
local terms energy: -66.626260
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.007 (S_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: 496
Temperature: 0.950000
Total energy: -220.584529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.584529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626399 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.692
local terms energy: -66.175308
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -209.168897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.168897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.234890 (E_RNA)
where:
Base-Base interactions energy: -146.999
where: short stacking energy: -62.556
Base-Backbone interact. energy: -0.005
local terms energy: -62.230757
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -228.974150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.022972 (E_RNA)
where:
Base-Base interactions energy: -166.536
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.711
local terms energy: -61.776065
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.049 (S_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: 496
Temperature: 1.100000
Total energy: -207.094807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.094807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.742559 (E_RNA)
where:
Base-Base interactions energy: -145.834
where: short stacking energy: -59.288
Base-Backbone interact. energy: -1.134
local terms energy: -67.774115
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 7.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -198.494507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.494507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562221 (E_RNA)
where:
Base-Base interactions energy: -143.941
where: short stacking energy: -55.859
Base-Backbone interact. energy: 1.630
local terms energy: -56.251488
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -200.339298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.339298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.552260 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.157
local terms energy: -59.960712
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -199.055490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.055490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.089305 (E_RNA)
where:
Base-Base interactions energy: -136.925
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.250
local terms energy: -61.914521
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -10.025
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -193.477549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.477549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.499996 (E_RNA)
where:
Base-Base interactions energy: -146.090
where: short stacking energy: -60.523
Base-Backbone interact. energy: 1.805
local terms energy: -49.215263
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -6.244
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -172.263505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.263505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.420081 (E_RNA)
where:
Base-Base interactions energy: -129.397
where: short stacking energy: -46.775
Base-Backbone interact. energy: -0.832
local terms energy: -50.190599
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -7.593
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 8.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -227.313421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.313421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392581 (E_RNA)
where:
Base-Base interactions energy: -163.774
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.045
local terms energy: -63.573242
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.079 (S_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: 497
Temperature: 0.950000
Total energy: -234.051129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.051129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.051250 (E_RNA)
where:
Base-Base interactions energy: -173.211
where: short stacking energy: -70.007
Base-Backbone interact. energy: -0.609
local terms energy: -60.230823
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -217.920200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.920200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.937003 (E_RNA)
where:
Base-Base interactions energy: -158.888
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.021
local terms energy: -59.028207
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -220.984954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.984954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.078183 (E_RNA)
where:
Base-Base interactions energy: -166.046
where: short stacking energy: -58.823
Base-Backbone interact. energy: 0.279
local terms energy: -55.310946
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.093 (S_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: 497
Temperature: 1.100000
Total energy: -192.374863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.374863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.322236 (E_RNA)
where:
Base-Base interactions energy: -138.399
where: short stacking energy: -61.089
Base-Backbone interact. energy: -0.011
local terms energy: -61.912879
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 7.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -205.664040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.664040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.666598 (E_RNA)
where:
Base-Base interactions energy: -143.768
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.060
local terms energy: -61.839280
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -195.451396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.451396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.488975 (E_RNA)
where:
Base-Base interactions energy: -136.930
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.018
local terms energy: -58.540874
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -199.574678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.574678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.822837 (E_RNA)
where:
Base-Base interactions energy: -138.934
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.836
local terms energy: -60.052239
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -204.663361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.663361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.706168 (E_RNA)
where:
Base-Base interactions energy: -149.100
where: short stacking energy: -52.150
Base-Backbone interact. energy: 1.008
local terms energy: -56.614017
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -169.439910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.439910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.491881 (E_RNA)
where:
Base-Base interactions energy: -123.573
where: short stacking energy: -50.216
Base-Backbone interact. energy: 0.257
local terms energy: -54.176164
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 8.052 (S_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: 498
Temperature: 0.900000
Total energy: -233.990758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.990758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.017131 (E_RNA)
where:
Base-Base interactions energy: -172.275
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.619
local terms energy: -61.123095
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -225.358727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.358727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.358727 (E_RNA)
where:
Base-Base interactions energy: -163.429
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.064
local terms energy: -61.866116
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -17.431
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -218.543243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.543243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.591012 (E_RNA)
where:
Base-Base interactions energy: -155.140
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.168
local terms energy: -63.283214
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.048 (S_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: 498
Temperature: 1.050000
Total energy: -232.293367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.381644 (E_RNA)
where:
Base-Base interactions energy: -169.985
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.198
local terms energy: -62.197771
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -209.527279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.527279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.570299 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -56.580
Base-Backbone interact. energy: -0.001
local terms energy: -64.246766
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.043 (S_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: 498
Temperature: 1.150000
Total energy: -183.124191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.124191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.633306 (E_RNA)
where:
Base-Base interactions energy: -136.937
where: short stacking energy: -56.036
Base-Backbone interact. energy: 2.146
local terms energy: -55.842302
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -5.746
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 7.509 (S_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: 498
Temperature: 1.200000
Total energy: -201.458514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.458514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.532024 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.290
local terms energy: -62.437571
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -200.248177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.248177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.281198 (E_RNA)
where:
Base-Base interactions energy: -145.548
where: short stacking energy: -59.630
Base-Backbone interact. energy: -0.001
local terms energy: -54.731456
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -7.178
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.033 (S_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: 498
Temperature: 1.300000
Total energy: -177.255096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.255096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.404883 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.073
local terms energy: -55.479751
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 9.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -188.972826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.972826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.155469 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -49.854
Base-Backbone interact. energy: -0.145
local terms energy: -53.356576
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.183 (S_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: 499
Temperature: 0.900000
Total energy: -235.411306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.411306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.494643 (E_RNA)
where:
Base-Base interactions energy: -172.369
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.073
local terms energy: -63.053418
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -217.568601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.568601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.578215 (E_RNA)
where:
Base-Base interactions energy: -153.942
where: short stacking energy: -67.330
Base-Backbone interact. energy: 2.390
local terms energy: -66.026241
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -215.201402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.201402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.231353 (E_RNA)
where:
Base-Base interactions energy: -147.597
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.214
local terms energy: -67.420357
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.030 (S_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: 499
Temperature: 1.050000
Total energy: -224.573519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.573519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.580721 (E_RNA)
where:
Base-Base interactions energy: -172.144
where: short stacking energy: -72.844
Base-Backbone interact. energy: -0.003
local terms energy: -52.433369
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -213.486153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.486153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.556930 (E_RNA)
where:
Base-Base interactions energy: -155.057
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.090
local terms energy: -58.410110
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.071 (S_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: 499
Temperature: 1.150000
Total energy: -199.744564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.744564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.839238 (E_RNA)
where:
Base-Base interactions energy: -134.956
where: short stacking energy: -55.660
Base-Backbone interact. energy: -0.172
local terms energy: -64.711301
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.095 (S_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: 499
Temperature: 1.200000
Total energy: -195.333210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.333210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.164935 (E_RNA)
where:
Base-Base interactions energy: -143.159
where: short stacking energy: -63.801
Base-Backbone interact. energy: -1.381
local terms energy: -57.625011
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 6.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -202.221672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.221672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.225308 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.000
local terms energy: -57.402434
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.004 (S_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: 499
Temperature: 1.300000
Total energy: -169.521127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.521127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.246726 (E_RNA)
where:
Base-Base interactions energy: -127.500
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.102
local terms energy: -48.644483
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 6.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -189.994076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.994076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.098612 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -55.939
Base-Backbone interact. energy: -0.070
local terms energy: -52.236230
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.105 (S_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: 500
Temperature: 0.900000
Total energy: -226.352856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.352856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.355588 (E_RNA)
where:
Base-Base interactions energy: -157.560
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.001
local terms energy: -68.793878
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.003 (S_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: 500
Temperature: 0.950000
Total energy: -230.494431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.494431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.494431 (E_RNA)
where:
Base-Base interactions energy: -167.626
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.620
local terms energy: -62.248892
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -226.914957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.914957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.914957 (E_RNA)
where:
Base-Base interactions energy: -168.018
where: short stacking energy: -67.290
Base-Backbone interact. energy: 0.144
local terms energy: -59.041271
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -1.485
tors. eta vs tors. theta energy: -16.167
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: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -207.132675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.410896 (E_RNA)
where:
Base-Base interactions energy: -143.124
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.001
local terms energy: -64.286428
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.278 (S_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: 500
Temperature: 1.100000
Total energy: -206.005345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.042865 (E_RNA)
where:
Base-Base interactions energy: -143.535
where: short stacking energy: -58.813
Base-Backbone interact. energy: -0.021
local terms energy: -62.487623
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -204.180989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.180989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.180989 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.063
local terms energy: -56.815951
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -203.658543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.658543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.723093 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.027
local terms energy: -59.678256
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.065 (S_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: 500
Temperature: 1.250000
Total energy: -182.039786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.039786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.475145 (E_RNA)
where:
Base-Base interactions energy: -133.302
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.676
local terms energy: -54.497131
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 6.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -199.904696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.904696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.964397 (E_RNA)
where:
Base-Base interactions energy: -141.373
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.195
local terms energy: -58.396461
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.060 (S_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: 500
Temperature: 1.350000
Total energy: -161.497807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.497807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.997431 (E_RNA)
where:
Base-Base interactions energy: -115.200
where: short stacking energy: -51.339
Base-Backbone interact. energy: -0.201
local terms energy: -54.596480
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -8.801
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 8.500 (S_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: 501
Temperature: 0.900000
Total energy: -221.371241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.371241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.375016 (E_RNA)
where:
Base-Base interactions energy: -155.611
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.005
local terms energy: -65.758887
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -233.110190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.110190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.171631 (E_RNA)
where:
Base-Base interactions energy: -169.657
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.269
local terms energy: -63.245572
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.061 (S_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: 501
Temperature: 1.000000
Total energy: -228.687922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.687922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.687922 (E_RNA)
where:
Base-Base interactions energy: -162.172
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.002
local terms energy: -66.513597
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -5.899
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: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -210.969172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.969172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.969172 (E_RNA)
where:
Base-Base interactions energy: -144.913
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.004
local terms energy: -66.051661
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -13.680
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: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -201.445717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.445717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.707546 (E_RNA)
where:
Base-Base interactions energy: -140.187
where: short stacking energy: -59.935
Base-Backbone interact. energy: 0.865
local terms energy: -62.385424
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.262 (S_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: 501
Temperature: 1.150000
Total energy: -207.901753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.901753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.998918 (E_RNA)
where:
Base-Base interactions energy: -151.946
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.155
local terms energy: -55.897639
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -200.752035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.752035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.798657 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.000
local terms energy: -52.884326
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.047 (S_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: 501
Temperature: 1.250000
Total energy: -193.305442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.305442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.546198 (E_RNA)
where:
Base-Base interactions energy: -136.285
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.005
local terms energy: -57.256289
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.241 (S_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: 501
Temperature: 1.300000
Total energy: -175.720758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.720758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.987650 (E_RNA)
where:
Base-Base interactions energy: -130.603
where: short stacking energy: -52.809
Base-Backbone interact. energy: -0.622
local terms energy: -53.761785
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 9.267 (S_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: 501
Temperature: 1.350000
Total energy: -176.860740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.585105 (E_RNA)
where:
Base-Base interactions energy: -130.300
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.014
local terms energy: -54.271694
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -0.729
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 7.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 9593450
moves confirmed later: 11231393
all moves confirmed: 20824843
percent of confirmed moves: 2.603105
current total energy: -212.672397
recalc. total energy: -212.672397
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 9506600
moves confirmed later: 11124148
all moves confirmed: 20630748
percent of confirmed moves: 2.578844
current total energy: -197.660921
recalc. total energy: -197.660921
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 9457340
moves confirmed later: 11059246
all moves confirmed: 20516586
percent of confirmed moves: 2.564573
current total energy: -187.739191
recalc. total energy: -187.739191
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 9635171
moves confirmed later: 11302884
all moves confirmed: 20938055
percent of confirmed moves: 2.617257
current total energy: -192.705030
recalc. total energy: -192.705030
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 9494565
moves confirmed later: 11089808
all moves confirmed: 20584373
percent of confirmed moves: 2.573047
current total energy: -193.074768
recalc. total energy: -193.074768
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 9673714
moves confirmed later: 11353014
all moves confirmed: 21026728
percent of confirmed moves: 2.628341
current total energy: -174.213126
recalc. total energy: -174.213126
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 9521012
moves confirmed later: 11114222
all moves confirmed: 20635234
percent of confirmed moves: 2.579404
current total energy: -191.558050
recalc. total energy: -191.558050
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 9451838
moves confirmed later: 11024028
all moves confirmed: 20475866
percent of confirmed moves: 2.559483
current total energy: -171.916222
recalc. total energy: -171.916222
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 11317693
moves confirmed later: 13140152
all moves confirmed: 24457845
percent of confirmed moves: 3.057231
current total energy: -148.139733
recalc. total energy: -148.139733
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 11390543
moves confirmed later: 13238451
all moves confirmed: 24628994
percent of confirmed moves: 3.078624
current total energy: -98.634258
recalc. total energy: -98.634258
out arg RESULTS//1/asra-0267e8a0_01
Time of doing 8000000 iterations: 2687.362 seconds